Australian diagnosis related groups: Drivers of complexity adjustment.

Science.gov (United States)

Jackson, Terri; Dimitropoulos, Vera; Madden, Richard; Gillett, Steve

2015-11-01

In undertaking a major revision to the Australian Refined Diagnosis Related Group (ARDRG) classification, we set out to contrast Australia's approach to using data on additional (not principal) diagnoses with major international approaches in splitting base or Adjacent Diagnosis Related Groups (ADRGs). Comparative policy analysis/narrative review of peer-reviewed and grey literature on international approaches to use of additional (secondary) diagnoses in the development of Australian and international DRG systems. European and US approaches to characterise complexity of inpatient care are well-documented, providing useful points of comparison with Australia's. Australia, with good data sources, has continued to refine its national DRG classification using increasingly sophisticated approaches. Hospital funders in Australia and in other systems are often under pressure from provider groups to expand classifications to reflect clinical complexity. DRG development in most healthcare systems reviewed here reflects four critical factors: these socio-political factors, the quality and depth of the coded data available to characterise the mix of cases in a healthcare system, the size of the underlying population, and the intended scope and use of the classification. Australia's relatively small national population has constrained the size of its DRG classifications, and development has been concentrated on inpatient care in public hospitals. Development of casemix classifications in health care is driven by both technical and socio-political factors. Use of additional diagnoses to adjust for patient complexity and cost needs to respond to these in each casemix application. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

Connecting the Dots: Social Network Structure, Conflict, and Group Cognitive Complexity

Science.gov (United States)

Curseu, Petru L.; Janssen, Steffie E. A.; Raab, Jorg

2012-01-01

The current paper combines arguments from the social capital and group cognition literature to explain two different processes through which communication network structures and intra group conflict influence groups' cognitive complexity (GCC). We test in a sample of 44 groups the mediating role of intra group conflict in the relationship between…

Infrared multiple photon dissociation spectroscopy of group I and group II metal complexes with Boc-hydroxylamine

NARCIS (Netherlands)

Dain, R.P.; Gresham, G.; Groenewold, G.S.; Steill, J.D.; Oomens, J.; van Stipdonk, M.J.

2013-01-01

RATIONALE: Hydroxamates are essential growth factors for some microbes, acting primarily as siderophores that solubilize iron for transport into a cell. Here we determined the intrinsic structure of 1:1 complexes between Boc-protected hydroxylamine and group I ([M(L)](+)) and group II ([M(L-H)](+))

Group 4 Metalloporphyrin diolato Complexes and Catalytic Application of Metalloporphyrins and Related Transition Metal Complexes

Energy Technology Data Exchange (ETDEWEB)

Du, Guodong [Iowa State Univ., Ames, IA (United States)

2003-01-01

In this work, the first examples of group 4 metalloporphyrin 1,2-diolato complexes were synthesized through a number of strategies. In general, treatment of imido metalloporphyrin complexes, (TTP)M=NR, (M = Ti, Zr, Hf), with vicinal diols led to the formation of a series of diolato complexes. Alternatively, the chelating pinacolate complexes could be prepared by metathesis of (TTP)MCl₂ (M = Ti, Hf) with disodium pinacolate. These complexes were found to undergo C-C cleavage reactions to produce organic carbonyl compounds. For titanium porphyrins, treatment of a titanium(II) alkyne adduct, (TTP)Ti(η²-PhC≡CPh), with aromatic aldehydes or aryl ketones resulted in reductive coupling of the carbonyl groups to produce the corresponding diolato complexes. Aliphatic aldehydes or ketones were not reactive towards (TTP)Ti(η²-PhC≡CPh). However, these carbonyl compounds could be incorporated into a diolato complex on reaction with a reactive precursor, (TTP)Ti[O(Ph)₂C(Ph)₂O] to provide unsymmetrical diolato complexes via cross coupling reactions. In addition, an enediolato complex (TTP)Ti(OCPhCPhO) was obtained from the reaction of (TTP)Ti(η²-PhC≡CPh) with benzoin. Titanium porphyrin diolato complexes were found to be intermediates in the (TTP)Ti=O-catalyzed cleavage reactions of vicinal diols, in which atmospheric oxygen was the oxidant. Furthermore, (TTP)Ti=O was capable of catalyzing the oxidation of benzyl alcohol and α-hydroxy ketones to benzaldehyde and α-diketones, respectively. Other high valent metalloporphyrin complexes also can catalyze the oxidative diol cleavage and the benzyl alcohol oxidation reactions with dioxygen. A comparison of Ti(IV) and Sn(IV) porphyrin chemistry was undertaken. While chelated diolato complexes were invariably obtained for titanium porphyrins on treatment with 1,2-diols, the reaction of vicinal diols with tin porphyrins gave a number of products, including mono

The Dynamics of Hope and Motivations in Groups Working on Complex Societal Issues

Directory of Open Access Journals (Sweden)

Pia Andersson

2016-01-01

Full Text Available This paper reports results from a study of how participants’ sense of personal hope and motivation was affected by a facilitated process in which four groups of people worked on different complex social issues. The group interventions were designed to scaffold increased understanding of the complexity of the chosen issue. A method called The Integral Process for Working on Complex Issues was used in all of the groups. Issues addressed in the four groups were: neighborhood deterioration, lack of community engagement, the need for better strategies for communication between rescue service actors in critical life-and-death situations, and transition to a more environmentally sustainable city. The study investigated the participants’ self-reported changes in their levels of hope regarding the possibility of achieving positive results on the selected issue, and changes in their motivation to engage in work to that end. The data were gathered through interviews with individual group participants before and after the group process. The sessions supported group members to develop more awareness of the complexity of the issues, and to develop strategies for action. The study indicates that the discovery of new potential pathways to manage an issue, through a more comprehensive understanding of the complexity involved, was a key factor influencing levels of hope and motivation. Reports from participants showed that when the participants formulated concrete actions that made sense to them, then “particularized hope” emerged, as well as motivation to continue to engage. Thus, increased levels of hope about a delimited part of the issue were reported, while in some cases, participants reported having less hope about the issue complex as a whole.

Complex Cooperative Strategies in Group-Territorial African Lions

Science.gov (United States)

Heinsohn, Robert; Packer, Craig

1995-09-01

Female lions (Panthera leo) showed persistent individual differences in the extent to which they participated in group-territorial conflict. When intergroup encounters were simulated by playback of aggressive vocalizations, some individuals consistently led the approach to the recorded intruder, whereas others lagged behind and avoided the risks of fighting. The lead females recognized that certain companions were laggards but failed to punish them, which suggests that cooperation is not maintained by reciprocity. Modification of the "odds" in these encounters revealed that some females joined the group response when they were most needed, whereas other lagged even farther behind. The complexity of these responses emphasizes the great diversity of individual behavior in this species and the inadequacy of current theory to explain cooperation in large groups.

Complex contexts and relationships affect clinical decisions in group therapy.

Science.gov (United States)

Tasca, Giorgio A; Mcquaid, Nancy; Balfour, Louise

2016-09-01

Clinical errors tend to be underreported even though examining them can provide important training and professional development opportunities. The group therapy context may be prone to clinician errors because of the added complexity within which therapists work and patients receive treatment. We discuss clinical errors that occurred within a group therapy in which a patient for whom group was not appropriate was admitted to the treatment and then was not removed by the clinicians. This was countertherapeutic for both patient and group. Two clinicians were involved: a clinical supervisor who initially assessed and admitted the patient to the group, and a group therapist. To complicate matters, the group therapy occurred within the context of a clinical research trial. The errors, possible solutions, and recommendations are discussed within Reason's Organizational Accident Model (Reason, 2000). In particular, we discuss clinician errors in the context of countertransference and clinician heuristics, group therapy as a local work condition that complicates clinical decision-making, and the impact of the research context as a latent organizational factor. We also present clinical vignettes from the pregroup preparation, group therapy, and supervision. Group therapists are more likely to avoid errors in clinical decisions if they engage in reflective practice about their internal experiences and about the impact of the context in which they work. Therapists must keep in mind the various levels of group functioning, especially related to the group-as-a-whole (i.e., group composition, cohesion, group climate, and safety) when making complex clinical decisions in order to optimize patient outcomes. (PsycINFO Database Record (c) 2016 APA, all rights reserved).

Communication Network Integration and Group Uniformity in a Complex Organization.

Science.gov (United States)

Danowski, James A.; Farace, Richard V.

This paper contains a discussion of the limitations of research on group processes in complex organizations and the manner in which a procedure for network analysis in on-going systems can reduce problems. The research literature on group uniformity processes and on theoretical models of these processes from an information processing perspective…

The Role of Social Identity Complexity in Inter-Group Attitudes among Young Adolescents

Science.gov (United States)

Knifsend, Casey A.; Juvonen, Jaana

2013-01-01

To supplement research on adolescent social identities, the current study examined how social identity complexity relates to ethnic inter-group attitudes in a young adolescent sample (N = 97; "age range" = 12-14 years). Social identity complexity refers to the perceived overlap of groups with which youth align themselves. Descriptive…

Detecting groups of similar components in complex networks

International Nuclear Information System (INIS)

Wang Jiao; Lai, C-H

2008-01-01

We study how to detect groups in a complex network each of which consists of component nodes sharing a similar connection pattern. Based on the mixture models and the exploratory analysis set up by Newman and Leicht (2007 Proc. Natl. Acad. Sci. USA 104 9564), we develop an algorithm that is applicable to a network with any degree distribution. The partition of a network suggested by this algorithm also applies to its complementary network. In general, groups of similar components are not necessarily identical with the communities in a community network; thus partitioning a network into groups of similar components provides additional information of the network structure. The proposed algorithm can also be used for community detection when the groups and the communities overlap. By introducing a tunable parameter that controls the involved effects of the heterogeneity, we can also investigate conveniently how the group structure can be coupled with the heterogeneity characteristics. In particular, an interesting example shows a group partition can evolve into a community partition in some situations when the involved heterogeneity effects are tuned. The extension of this algorithm to weighted networks is discussed as well.

Emergent sensing of complex environments by mobile animal groups.

Science.gov (United States)

Berdahl, Andrew; Torney, Colin J; Ioannou, Christos C; Faria, Jolyon J; Couzin, Iain D

2013-02-01

The capacity for groups to exhibit collective intelligence is an often-cited advantage of group living. Previous studies have shown that social organisms frequently benefit from pooling imperfect individual estimates. However, in principle, collective intelligence may also emerge from interactions between individuals, rather than from the enhancement of personal estimates. Here, we reveal that this emergent problem solving is the predominant mechanism by which a mobile animal group responds to complex environmental gradients. Robust collective sensing arises at the group level from individuals modulating their speed in response to local, scalar, measurements of light and through social interaction with others. This distributed sensing requires only rudimentary cognition and thus could be widespread across biological taxa, in addition to being appropriate and cost-effective for robotic agents.

Vanadium (4) complexing in phase of adsorbent with benzimidazole groups

International Nuclear Information System (INIS)

Shvoeva, O.P.; Kuchava, G.P.; Evtikova, G.A.; Belyaeva, V.K.; Myasoedova, G.V.; Marov, I.N.

1989-01-01

Equilibrium and kinetic characteristics of V 4+ sorption by POLYORGS XI-H adsorbent with benzimidazole groups (BIm) are investigated. Using ESR method it is stated that [VO 2+ ]:[BIm]1:2 complex, where VO 2+ is combined with nitrogen atoms of two imidazole groups, is formed in adsorbent phase. The highest distribution factor of 4.7x10 3 is attained at pH6

The 2-group of symmetries of a split chain complex

OpenAIRE

Elgueta, Josep

2010-01-01

We explicitly compute the 2-group of self-equivalences and (homotopy classes of) chain homotopies between them for any {\\it split} chain complex $A_{\\bullet}$ in an arbitrary $\\kb$-linear abelian category ($\\kb$ any commutative ring with unit). In particular, it is shown that it is a {\\it split} 2-group whose equivalence class depends only on the homology of $A_{\\bullet}$, and that it is equivalent to the trivial 2-group when $A_\\bullet$ is a split exact sequence. This provides a description ...

Vanadium (4) complexing in phase of adsorbent with benzimidazole groups

Energy Technology Data Exchange (ETDEWEB)

Shvoeva, O P; Kuchava, G P; Evtikova, G A; Belyaeva, V K; Myasoedova, G V; Marov, I N [AN SSSR, Moscow (USSR). Inst. Geokhimii i Analiticheskoj Khimii

1989-04-01

Equilibrium and kinetic characteristics of V{sup 4+} sorption by POLYORGS XI-H adsorbent with benzimidazole groups (BIm) are investigated. Using ESR method it is stated that (VO{sup 2+}):(BIm)1:2 complex, where VO{sup 2+} is combined with nitrogen atoms of two imidazole groups, is formed in adsorbent phase. The highest distribution factor of 4.7x10{sup 3} is attained at pH6.

Group 4 Metal Complexes of Chelating Cyclopentadienyl-ketimide Ligands

Czech Academy of Sciences Publication Activity Database

Večeřa, M.; Varga, Vojtěch; Císařová, I.; Pinkas, Jiří; Kucharczyk, P.; Sedlařík, V.; Lamač, Martin

2016-01-01

Roč. 35, č. 5 (2016), s. 785-798 ISSN 0276-7333 R&D Projects: GA ČR(CZ) GA14-08531S; GA MŠk(CZ) LO1504 Institutional support: RVO:61388955 Keywords : group 4 metal complexes * cyclopentadienyl-ketimide ligands * metallocenes Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.862, year: 2016

Influence of the substitution of β-cyclodextrins by cationic groups on the complexation of organic anions

International Nuclear Information System (INIS)

Hbaieb, S.; Kalfat, R.; Chevalier, Y.; Amdouni, N.; Parrot-Lopez, H.

2008-01-01

The inclusion complexation of the organic anion, dansyl-acid, by cationic derivatives of β-cyclodextrin has been investigated. A series of cationic β-cyclodextrins with various positive charge has been synthesized by selective functionalization of the primary face of β-cyclodextrin with amino groups. The complexes were of the 1:1 stoichiometry; the stability constants (K 11 ) have been evaluated from UV-Vis measurements by application of the Benesi-Hildebrand equation. The presence of amino groups increased the complexation ability. β-cyclodextrin fully substituted at the primary face with amino groups showed the strongest inclusion binding ability towards the dansyl-acid guest. The enhanced complexation for anions was ascribed to the cationic amino groups. A simple thermodynamic model of the electrostatic contribution to the complexation is presented

Influence of the substitution of {beta}-cyclodextrins by cationic groups on the complexation of organic anions

Energy Technology Data Exchange (ETDEWEB)

Hbaieb, S. [U.R. Physico-Chimie des Materiaux Solides, Faculte des Sciences de Tunis, Manar II, 2092 Tunis (Tunisia)], E-mail: Souhairabouchaira@yahoo.fr; Kalfat, R. [U.R. Physico-Chimie des Materiaux Solides, Faculte des Sciences de Tunis, Manar II, 2092 Tunis (Tunisia); Chevalier, Y. [Laboratoire d' Automatique et de Genie des Procedes (LAGEP), UMR 5007 CNRS-Universite Claude Bernard Lyon 1, 69622 Villeurbanne (France)], E-mail: chevalier@lagep.univ-lyon1.fr; Amdouni, N. [U.R. Physico-Chimie des Materiaux Solides, Faculte des Sciences de Tunis, Manar II, 2092 Tunis (Tunisia); Parrot-Lopez, H. [Institut de Chimie et Biochimie Moleculaires et Supramoleculaires (ICBMS), UMR 5246 CNRS-Universite Claude Bernard Lyon 1, 69622 Villeurbanne (France)], E-mail: helene.parrot@univ-lyon1.fr

2008-07-01

The inclusion complexation of the organic anion, dansyl-acid, by cationic derivatives of {beta}-cyclodextrin has been investigated. A series of cationic {beta}-cyclodextrins with various positive charge has been synthesized by selective functionalization of the primary face of {beta}-cyclodextrin with amino groups. The complexes were of the 1:1 stoichiometry; the stability constants (K{sub 11}) have been evaluated from UV-Vis measurements by application of the Benesi-Hildebrand equation. The presence of amino groups increased the complexation ability. {beta}-cyclodextrin fully substituted at the primary face with amino groups showed the strongest inclusion binding ability towards the dansyl-acid guest. The enhanced complexation for anions was ascribed to the cationic amino groups. A simple thermodynamic model of the electrostatic contribution to the complexation is presented.

STARS experiential group intervention: a complex trauma treatment approach for survivors of human trafficking.

Science.gov (United States)

Hopper, Elizabeth K; Azar, Naomi; Bhattacharyya, Sriya; Malebranche, Dominique A; Brennan, Kelsey E

2018-01-01

This is the abstract that was submitted online with the paper: Despite the fact that many survivors of human trafficking have experienced complex trauma, there are no established interventions designed to specifically address these impacts. Leaders in the field of complex trauma have advocated for the need for somatic approaches to intervention. This paper presents STARS Experiential Group treatment, the first structured bodybased group intervention that has been designed to address complex trauma in survivors of human trafficking. Three pilot groups were run in residential settings with adolescent and adult survivors of sex trafficking. Two adaptations were utilized, with one focusing on application of expressive arts modalities and the other incorporating theater games. Qualitative results, using thematic analysis, identified several themes related to challenges and potential benefits of these groups. Potential benefits of the STARS groups were found in the areas of Interpersonal Relationships, Regulation, and Self/ Identity, with fourteen sub-themes further describing positive impacts. Challenges within these areas are explored, to inform the development of group interventions for trafficking survivors. The results of this paper suggest that experiential, somatically-oriented group treatment shows promise as an important element of holistic intervention with trafficking survivors.

De Rham complexes of q-analogue of general linear group GLq(N)

International Nuclear Information System (INIS)

Sun Xiaodong; Wang Shikun

1993-07-01

In this paper we give a set of De Rham complexes of quantum group GL q (N) determined by one parameter r, and prove that the differential calculi on the quantum group GL q (N) given in this paper are bicovariant. The noncommutative differential calculi on the quantum groups SL q (N) and SU q (N) are also discussed. (author). 15 refs

Separation of compounds with multiple -OH groups from dilute aqueous solutions via complexation with organoboronate

Energy Technology Data Exchange (ETDEWEB)

Chow, Tina Kuo Fung [Univ. of California, Berkeley, CA (United States)

1992-05-01

The complexing extractant agent investigated in this work is 3-nitrophenylboronic acid (NPBA) in its anionic form (NPB). NPBA and Aliquat 336 (quaternary amine) is dissolved in 2-ethyl-l-hexanol, and the extractant is contacted with aq. NaOH. Solutes investigated were 1,2-propanediol, glycerol, fructose, sorbitol and lactic acid. Batch extraction experiments were performed at 25°C. Partition coefficients, distribution ratios and loadings are reported for varying concentrations of solute and NPB. All solutes complexed with NPB^-, with all complexes containing only one NPB^- per complex. The 1:1 complexation constants for the solutes glycerol, fructose and sorbitol follow trends similar to complexation with B(OH)₄^- (aq.), i.e. the complexation constants increase with increasing number of -OH groups available for complexation. Assumption of 1:1 complex is not valid for 1, 2-propanediol, which showed overloading (more than one mole of solute complexed to one mole NPB^-) at higher concentrations. The -OH group on the NPB^- which is left uncomplexed after one solute molecule had bound to the other two -OH groups may be responsible for the overloading. Overloading is also observed in extraction of tactic acid, but through a different mechanism. It was found that TOMA⁺ can extract lactic acid to an extent comparable to the uptake of lactic acid by NPB^-. The complexation is probably through formation of an acid-base ion pair. Losses of NPBA into the aqueous phase could lead to problems, poor economics in industrial separation processes. One way of overcoming this problem would be to incorporate the NPBA onto a solid support.

Cycloadditions to Epoxides Catalyzed by GroupIII-V Transition-Metal Complexes

KAUST Repository

D'Elia, Valerio

2015-05-25

Complexes of groupIII-V transition metals are gaining increasing importance as Lewis acid catalysts for the cycloaddition of dipolarophiles to epoxides. This review examines the latest reports, including homogeneous and heterogeneous applications. The pivotal step for the cycloaddition reactions is the ring opening of the epoxide following activation by the Lewis acid. Two modes of cleavage (C-C versus C-O) have been identified depending primarily on the substitution pattern of the epoxide, with lesser influence observed from the Lewis acid employed. The widely studied cycloaddition of CO2 to epoxides to afford cyclic carbonates (C-O bond cleavage) has been scrutinized in terms of catalytic efficiency and reaction mechanism, showing that unsophisticated complexes of groupIII-V transition metals are excellent molecular catalysts. These metals have been incorporated, as well, in highly performing, recyclable heterogeneous catalysts. Cycloadditions to epoxides with other dipolarophiles (alkynes, imines, indoles) have been conducted with scandium triflate with remarkable performances (C-C bond cleavage). © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Cycloadditions to Epoxides Catalyzed by GroupIII-V Transition-Metal Complexes

KAUST Repository

D'Elia, Valerio; Pelletier, Jeremie; Basset, Jean-Marie

2015-01-01

Complexes of groupIII-V transition metals are gaining increasing importance as Lewis acid catalysts for the cycloaddition of dipolarophiles to epoxides. This review examines the latest reports, including homogeneous and heterogeneous applications. The pivotal step for the cycloaddition reactions is the ring opening of the epoxide following activation by the Lewis acid. Two modes of cleavage (C-C versus C-O) have been identified depending primarily on the substitution pattern of the epoxide, with lesser influence observed from the Lewis acid employed. The widely studied cycloaddition of CO2 to epoxides to afford cyclic carbonates (C-O bond cleavage) has been scrutinized in terms of catalytic efficiency and reaction mechanism, showing that unsophisticated complexes of groupIII-V transition metals are excellent molecular catalysts. These metals have been incorporated, as well, in highly performing, recyclable heterogeneous catalysts. Cycloadditions to epoxides with other dipolarophiles (alkynes, imines, indoles) have been conducted with scandium triflate with remarkable performances (C-C bond cleavage). © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Complexes of groups 3,4, the lanthanides and the actinides containing neutral phophorus donor ligands

International Nuclear Information System (INIS)

Fryzuk, M.D.; Haddad, T.S.; Berg, D.J.

1990-01-01

Of relevance to this review are complexes of the early transition elements, in particular groups 3 and 4 and the lanthanides and actinides. In this review the authors have attempted to collect all the data up to the end of 1988 for complexed of groups 3 and 4, the lanthanides and the actinides that contain phosphorus donor ligands. The 1989s have seen a renaissance of the use of phosphine donors for the early d elements (groups 3 and 4) and the f elements. Neutral phosphorus donors are defined as primary (PH 2 R), secondary (PH 2 ) or tertiary phosphines (PR 3 ), including complexes of phosphine, PH 3 . Also reviewed are complexes of PF 3 and phosphites, P(OR) 3 . Specifically excluded are phosphido derivates, PR 2 . The ability of a neutral phosphorus donor to bind the metals of groups 3 and 4, the lanthanides and the actinides is now well established. While there are still no examples of lanthanum or actinium phosphine complexes, such derivatives should be accessible at least for lanthanum. series. However, there is no obvious chemical reason to suggest that such derivatives cannot be generated. The phosphine ligands that appear to generate the most stable phosphine-metal interaction are chelating phosphines such as dmpe, trmpe and trimpsi. In addition, the use of the chelate effect in conjunction with a hard ligand such as the amide in - N(SiMe 2 CH 2 PMe 2 ) 2 , or an alkoxide as found in - OC(BU t ) 2 CH 2 PMe 2 , also appears to be effective in anchoring the phosphine donor to the metal. The majority of low oxidation state derivatives of the group 4 elements are stabilized by phosphine donors in contrast with other parts of the transition series where one finds that classic π-acceptor-type ligands such as CO or RNC are utilized. 233 refs

Artificial Evolution for the Detection of Group Identities in Complex Artificial Societies

DEFF Research Database (Denmark)

Grappiolo, Corrado; Togelius, Julian; Yannakakis, Georgios N.

2013-01-01

This paper aims at detecting the presence of group structures in complex artificial societies by solely observing and analysing the interactions occurring among the artificial agents. Our approach combines: (1) an unsupervised method for clustering interactions into two possible classes, namely in...

Investigation of complexing ability of ionites with various groups to some heavy and transition metal ions

Directory of Open Access Journals (Sweden)

Yedil Yergozhin

2013-05-01

Full Text Available The physico-chemical and complexing properties of the sorbent based on chloromethylated styrene and divinylbenzene copolymer with nicotinamide groups and copolymers based on metacryloilaminobenzene acids with 2-methyl-5-vinylpyridineisomers are studied. By potentiometric titration method the constant of polyelectrolytes functional groups ionization, the composition and strength of the resulting complexes with ions of some heavy and transition metals are determined.

Complexes of vanadyl and uranyl ions with the chelating groups of humic matter

International Nuclear Information System (INIS)

Goncalves, M.L.S.; Mota, A.M.

1987-01-01

The uranyl and vanadyl complexes formed with salicylic, phthalic and 3,4-dihydroxybenzoic acids have been studied by potentiometry in order to determine the stability constants of the Msub(m) Lsub(n) species formed in solution, and the constants for hydrolysis and polymeric complexes, at 25.0 0 , in 0.10, 0.40 and 0.70M sodium perchlorate. MINIQUAD was used in process the data to find the best models for the species in solution, and calculate the formation constants. The uranyl-salicylic acid sytem was also studied by spectrophotometry and the program SQUAD used to process the data obtained. The best models for these systems show that co-ordination of the uranyl ion by carboxylate groups is easier than for the vanadyl ion, whereas the vanadyl ion seems to form more stable complexes with phenolate groups. Both oxo-cations seem to tend to hydrolyse rather than form complexes when the L:M ratios are greater than unity. Although the change in the constants with ionic strength is small, the activity coefficients of the salicylate and phthalate species have been calculated at ionic strengths 0.40 and 0.70M, along with the interaction parameters with Na + , from the stability constants found for the species ML and H 2 L, according to the Bronsted-Guggenheim expression. (author)

Canonical Groups for Quantization on the Two-Dimensional Sphere and One-Dimensional Complex Projective Space

International Nuclear Information System (INIS)

Sumadi A H A; H, Zainuddin

2014-01-01

Using Isham's group-theoretic quantization scheme, we construct the canonical groups of the systems on the two-dimensional sphere and one-dimensional complex projective space, which are homeomorphic. In the first case, we take SO(3) as the natural canonical Lie group of rotations of the two-sphere and find all the possible Hamiltonian vector fields, and followed by verifying the commutator and Poisson bracket algebra correspondences with the Lie algebra of the group. In the second case, the same technique is resumed to define the Lie group, in this case SU (2), of CP'.We show that one can simply use a coordinate transformation from S 2 to CP 1 to obtain all the Hamiltonian vector fields of CP 1 . We explicitly show that the Lie algebra structures of both canonical groups are locally homomorphic. On the other hand, globally their corresponding canonical groups are acting on different geometries, the latter of which is almost complex. Thus the canonical group for CP 1 is the double-covering group of SO(3), namely SU(2). The relevance of the proposed formalism is to understand the idea of CP 1 as a space of where the qubit lives which is known as a Bloch sphere

Synthesis of zirconium aryloxide complexes containing pendent vinyl groups

Energy Technology Data Exchange (ETDEWEB)

Evans, W.J.; Ansari, M.A.; Ziller, J.W. [Univ. of California, Irvine, CA (United States). Dept. of Chemistry

1999-03-22

The attachment of pendent olefin groups to oxygen-ligated zirconium complexes using olefin-substituted phenols and alcohols and readily accessible zirconium reagents is described. Syntheses of three crystallographically characterizable complexes isolable in 55--90% yield are reported. Eugenol, HOC{sub 6}H{sub 3}(OMe-2)(CH{sub 2}CH{double_bond}CH{sub 2}-4)(HOAr) reacts with [Zr(O{sup i}Pr){sub 4}(HO{sup i}Pr)]{sub 2} in toluene to form [({sup i}PrO){sub 2}(ArO)Zr({mu}-O{sup i}Pr)]{sub 2}, 1. CH{sub 2}{double_bond}CHCH{sub 2}OH reacts with [Zr(NMe{sub 2}){sub 4}]{sub 2} in the presence of 2,6-dimethylphenol to form the mixed ligand salt, {l_brace}Me{sub 2}NH{sub 2}{r_brace}[(2,6-Me{sub 2}C{sub 6}H{sub 3}O){sub 3}Zr]{sub 2}({mu}-OCH{sub 2}CH{double_bond}CH{sub 2}){sub 3}{r_brace}, 2. The potassium salt derived from eugenol, KOAr, reacts with Zr(OEt){sub 4} in THF to form [K{sub 2}Zr(OAr){sub 4}(OEt)]{sub 2}(O), 3.

Fisher's Zeros as the Boundary of Renormalization Group Flows in Complex Coupling Spaces

International Nuclear Information System (INIS)

Denbleyker, A.; Du Daping; Liu Yuzhi; Meurice, Y.; Zou Haiyuan

2010-01-01

We propose new methods to extend the renormalization group transformation to complex coupling spaces. We argue that Fisher's zeros are located at the boundary of the complex basin of attraction of infrared fixed points. We support this picture with numerical calculations at finite volume for two-dimensional O(N) models in the large-N limit and the hierarchical Ising model. We present numerical evidence that, as the volume increases, the Fisher's zeros of four-dimensional pure gauge SU(2) lattice gauge theory with a Wilson action stabilize at a distance larger than 0.15 from the real axis in the complex β=4/g 2 plane. We discuss the implications for proofs of confinement and searches for nontrivial infrared fixed points in models beyond the standard model.

Sequence-specific assignment of methyl groups from the neuronal SNARE complex using lanthanide-induced pseudocontact shifts

International Nuclear Information System (INIS)

Pan, Yun-Zu; Quade, Bradley; Brewer, Kyle D.; Szabo, Monika; Swarbrick, James D.; Graham, Bim; Rizo, Josep

2016-01-01

Neurotransmitter release depends critically on the neuronal SNARE complex formed by syntaxin-1, SNAP-25 and synaptobrevin, as well as on other proteins such as Munc18-1, Munc13-1 and synaptotagmin-1. Although three-dimensional structures are available for these components, it is still unclear how they are assembled between the synaptic vesicle and plasma membranes to trigger fast, Ca 2+ -dependent membrane fusion. Methyl TROSY NMR experiments provide a powerful tool to study complexes between these proteins, but assignment of the methyl groups of the SNARE complex is hindered by its limited solubility. Here we report the assignment of the isoleucine, leucine, methionine and valine methyl groups of the four SNARE motifs of syntaxin-1, SNAP-25 and synaptobrevin within the SNARE complex based solely on measurements of lanthanide-induced pseudocontact shifts. Our results illustrate the power of this approach to assign protein resonances without the need of triple resonance experiments and provide an invaluable tool for future structural studies of how the SNARE complex binds to other components of the release machinery.

Sequence-specific assignment of methyl groups from the neuronal SNARE complex using lanthanide-induced pseudocontact shifts

Energy Technology Data Exchange (ETDEWEB)

Pan, Yun-Zu; Quade, Bradley; Brewer, Kyle D. [University of Texas Southwestern Medical Center, Department of Biophysics (United States); Szabo, Monika; Swarbrick, James D.; Graham, Bim [Monash Institute of Pharmaceutical Sciences, Monash University (Australia); Rizo, Josep, E-mail: Jose.Rizo-Rey@UTSouthwestern.edu [University of Texas Southwestern Medical Center, Department of Biophysics (United States)

2016-12-15

Neurotransmitter release depends critically on the neuronal SNARE complex formed by syntaxin-1, SNAP-25 and synaptobrevin, as well as on other proteins such as Munc18-1, Munc13-1 and synaptotagmin-1. Although three-dimensional structures are available for these components, it is still unclear how they are assembled between the synaptic vesicle and plasma membranes to trigger fast, Ca{sup 2+}-dependent membrane fusion. Methyl TROSY NMR experiments provide a powerful tool to study complexes between these proteins, but assignment of the methyl groups of the SNARE complex is hindered by its limited solubility. Here we report the assignment of the isoleucine, leucine, methionine and valine methyl groups of the four SNARE motifs of syntaxin-1, SNAP-25 and synaptobrevin within the SNARE complex based solely on measurements of lanthanide-induced pseudocontact shifts. Our results illustrate the power of this approach to assign protein resonances without the need of triple resonance experiments and provide an invaluable tool for future structural studies of how the SNARE complex binds to other components of the release machinery.

Deciphering complex patterns of class-I HLA-peptide cross-reactivity via hierarchical grouping.

Science.gov (United States)

Mukherjee, Sumanta; Warwicker, Jim; Chandra, Nagasuma

2015-07-01

T-cell responses in humans are initiated by the binding of a peptide antigen to a human leukocyte antigen (HLA) molecule. The peptide-HLA complex then recruits an appropriate T cell, leading to cell-mediated immunity. More than 2000 HLA class-I alleles are known in humans, and they vary only in their peptide-binding grooves. The polymorphism they exhibit enables them to bind a wide range of peptide antigens from diverse sources. HLA molecules and peptides present a complex molecular recognition pattern, as many peptides bind to a given allele and a given peptide can be recognized by many alleles. A powerful grouping scheme that not only provides an insightful classification, but is also capable of dissecting the physicochemical basis of recognition specificity is necessary to address this complexity. We present a hierarchical classification of 2010 class-I alleles by using a systematic divisive clustering method. All-pair distances of alleles were obtained by comparing binding pockets in the structural models. By varying the similarity thresholds, a multilevel classification was obtained, with 7 supergroups, each further subclassifying to yield 72 groups. An independent clustering performed based only on similarities in their epitope pools correlated highly with pocket-based clustering. Physicochemical feature combinations that best explain the basis of clustering are identified. Mutual information calculated for the set of peptide ligands enables identification of binding site residues contributing to peptide specificity. The grouping of HLA molecules achieved here will be useful for rational vaccine design, understanding disease susceptibilities and predicting risk of organ transplants.

Highly Fluorescent Group 13 Metal Complexes with Cyclic, Aromatic Hydroxamic Acid Ligands

Energy Technology Data Exchange (ETDEWEB)

Seitz, Michael; Moore, Evan G.; Raymond, Kenneth N.

2008-02-11

The neutral complexes of two ligands based on the 1-oxo-2-hydroxy-isoquinoline (1,2-HOIQO) motif with group 13 metals (Al, Ga, In) show bright blue-violet luminescence in organic solvents. The corresponding transition can be attributed to ligand-centered singlet emission, characterized by a small Stokes shifts of only a few nm combined with lifetimes in the range between 1-3 ns. The fluorescence efficiency is high, with quantum yields of up to 37% in benzene solution. The crystal structure of one of the indium(III) complexes (trigonal space group R-3, a = b = 13.0384(15) {angstrom}, c = 32.870(8) {angstrom}, ? = {beta} = 90{sup o}, {gamma} = 120{sup o}, V = 4839.3(14) {angstrom}{sup 3}, Z = 6) shows a six-coordinate geometry around the indium center which is close to trigonal-prismatic, with a twist angle between the two trigonal faces of 20.7{sup o}. Time-dependent density functional theory (TD-DFT) calculations (Al and Ga: B3LYP/6-31G(d)); In: B3LYP/LANL2DZ of the fac and mer isomers with one of the two ligands indicate that there is no clear preference for either one of the isomeric forms of the metal complexes. In addition, the metal centers do not have a significant influence on the electronic structure, and as a consequence, on the predominant intraligand optical transitions.

On the phase of Chern-Simons theory with complex gauge group

Energy Technology Data Exchange (ETDEWEB)

Gibbs, R.; Mokhtari, S. [Dept. of Phys., Louisiana Tech. Univ., Ruston, LA (United States)

1995-10-07

We compute the eta function for Chern-Simons quantum field theory with complex gauge group. The calculation is performed using the Schwinger expansion technique. We discuss, in particular, the role of the metric on the field configuration space, and demonstrate that for a certain class of acceptable metrics the one-loop phase contribution to the effective action can be calculated explicitly. The result is found to be proportional to a gauge invariant part of the action. (author)

Separation of compounds with multiple -OH groups from dilute aqueous solutions via complexation with organoboronate. [1,2-propanediol

Energy Technology Data Exchange (ETDEWEB)

Chow, Tina Kuo Fung.

1992-05-01

The complexing extractant agent investigated in this work is 3-nitrophenylboronic acid (NPBA) in its anionic form (NPB). NPBA and Aliquat 336 (quaternary amine) is dissolved in 2-ethyl-l-hexanol, and the extractant is contacted with aq. NaOH. Solutes investigated were 1,2-propanediol, glycerol, fructose, sorbitol and lactic acid. Batch extraction experiments were performed at 25{degree}C. Partition coefficients, distribution ratios and loadings are reported for varying concentrations of solute and NPB. All solutes complexed with NPB{sup {minus}}, with all complexes containing only one NPB{sup {minus}} per complex. The 1:1 complexation constants for the solutes glycerol, fructose and sorbitol follow trends similar to complexation with B(OH){sub 4}{sup {minus}} (aq.), i.e. the complexation constants increase with increasing number of {minus}OH groups available for complexation. Assumption of 1:1 complex is not valid for 1, 2-propanediol, which showed overloading (more than one mole of solute complexed to one mole NPB{sup {minus}}) at higher concentrations. The {minus}OH group on the NPB{sup {minus}} which is left uncomplexed after one solute molecule had bound to the other two {minus}OH groups may be responsible for the overloading. Overloading is also observed in extraction of tactic acid, but through a different mechanism. It was found that TOMA{sup +} can extract lactic acid to an extent comparable to the uptake of lactic acid by NPB{sup {minus}}. The complexation is probably through formation of an acid-base ion pair. Losses of NPBA into the aqueous phase could lead to problems, poor economics in industrial separation processes. One way of overcoming this problem would be to incorporate the NPBA onto a solid support.

Task complexity and task, goal, and reward interdependence in group performance : a prescriptive model

NARCIS (Netherlands)

Vijfeijken, van H.T.G.A.; Kleingeld, P.A.M.; Tuijl, van H.F.J.M.; Algera, J.A.; Thierry, H.

2002-01-01

A prescriptive model on how to design effective combinations of goal setting and contingent rewards for group performance management is presented. The model incorporates the constructs task complexity, task interdependence, goal interdependence, and reward interdependence and specifies optimal fit

Theoretical predictions of hydrolysis and complex formation of group-4 elements Zr, Hf and Rf in HF and HCl solutions

International Nuclear Information System (INIS)

Pershina, V.; Trubert, D.; Le Naour, C.; Kratz, J.V.

2002-01-01

Fully relativistic molecular density-functional calculations of the electronic structures of hydrated, hydrolyzed and fluoride/chloride complexes have been performed for group-4 elements Zr, Hf, and element 104, Rf. Using the electronic density distribution data, relative values of the free energy change for hydrolysis and complex formation reactions were defined. The results show the following trend for the first hydrolysis step of the cationic species: Zr>Hf>Rf in agreement with experiments. For the complex formation in HF solutions, the trend to a decrease from Zr to Hf is continued with Rf, provided no hydrolysis takes place. At pH>0, further fluorination of hydrolyzed species or fluoro-complexes has an inversed trend in the group Rf≥Zr>Hf, with the difference between the elements being very small. For the complex formation in HCl solutions, the trend is continued with Rf, so that Zr>Hf>Rf independently of pH. A decisive energetic factor in hydrolysis or complex formation processes proved to be a predominant electrostatic metal-ligand interaction. Trends in the K d (distribution coefficient) values for the group-4 elements are expected to follow those of the complex formation

A Mathematical Framework for the Complex System Approach to Group Dynamics: The Case of Recovery House Social Integration.

Science.gov (United States)

Light, John M; Jason, Leonard A; Stevens, Edward B; Callahan, Sarah; Stone, Ariel

2016-03-01

The complex system conception of group social dynamics often involves not only changing individual characteristics, but also changing within-group relationships. Recent advances in stochastic dynamic network modeling allow these interdependencies to be modeled from data. This methodology is discussed within a context of other mathematical and statistical approaches that have been or could be applied to study the temporal evolution of relationships and behaviors within small- to medium-sized groups. An example model is presented, based on a pilot study of five Oxford House recovery homes, sober living environments for individuals following release from acute substance abuse treatment. This model demonstrates how dynamic network modeling can be applied to such systems, examines and discusses several options for pooling, and shows how results are interpreted in line with complex system concepts. Results suggest that this approach (a) is a credible modeling framework for studying group dynamics even with limited data, (b) improves upon the most common alternatives, and (c) is especially well-suited to complex system conceptions. Continuing improvements in stochastic models and associated software may finally lead to mainstream use of these techniques for the study of group dynamics, a shift already occurring in related fields of behavioral science.

Influence of a Heterocyclic Nitrogen-Donor Group on the Coordination of Trivalent Actinides and Lanthanides by Aminopolycarboxylate Complexants.

Science.gov (United States)

Grimes, Travis S; Heathman, Colt R; Jansone-Popova, Santa; Ivanov, Alexander S; Roy, Santanu; Bryantsev, Vyacheslav S; Zalupski, Peter R

2018-02-05

The novel metal chelator N-2-(pyridylmethyl)diethylenetriamine-N,N',N″,N″-tetraacetic acid (DTTA-PyM) was designed to replace a single oxygen-donor acetate group of the well-known aminopolycarboxylate complexant diethylenetriamine-N,N,N',N″,N″-pentaacetic acid (DTPA) with a nitrogen-donor 2-pyridylmethyl. Potentiometric, spectroscopic, computational, and radioisotope distribution methods show distinct differences for the 4f and 5f coordination environments and enhanced actinide binding due to the nitrogen-bearing heterocyclic moiety. The Am 3+ , Cm 3+ , and Ln 3+ complexation studies for DTTA-PyM reveal an enhanced preference, relative to DTPA, for trivalent actinide binding. Fluorescence studies indicate no changes to the octadentate coordination of trivalent curium, while evidence of heptadentate complexation of trivalent europium is found in mixtures containing EuHL (aq) complexes at the same aqueous acidity. The denticity change observed for Eu 3+ suggests that complex protonation occurs on the pyridyl nitrogen. Formation of the CmHL (aq) complex is likely due to the protonation of an available carboxylate group because the carbonyl oxygen can maintain octadentate coordination through a rotation. The observed suppressed protonation of the pyridyl nitrogen in the curium complexes may be attributed to stronger trivalent actinide binding by DTTA-PyM. Density functional theory calculations indicate that added stabilization of the actinide complexes with DTTA-PyM may originate from π-back-bonding interactions between singly occupied 5f orbitals of Am 3+ and the pyridyl nitrogen. The differences between the stabilities of trivalent actinide chelates (Am 3+ , Cm 3+ ) and trivalent lanthanide chelates (La 3+ -Lu 3+ ) are observed in liquid-liquid extraction systems, yielding unprecedented 4f/5f differentiation when using DTTA-PyM as an aqueous holdback reagent. In addition, the enhanced nitrogen-donor softness of the new DTTA-PyM chelator was perturbed by

The Structure of the Human Centrin 2-Xeroderma Pigmentosum Group C Protein Complex

Energy Technology Data Exchange (ETDEWEB)

Thompson,J.; Ryan, Z.; Salisbury, J.; Kumar, R.

2006-01-01

Human centrin-2 plays a key role in centrosome function and stimulates nucleotide excision repair by binding to the xeroderma pigmentosum group C protein. To determine the structure of human centrin-2 and to develop an understanding of molecular interactions between centrin and xeroderma pigmentosum group C protein, we characterized the crystal structure of calcium-loaded full-length centrin-2 complexed with a xeroderma pigmentosum group C peptide. Our structure shows that the carboxyl-terminal domain of centrin-2 binds this peptide and two calcium atoms, whereas the amino-terminal lobe is in a closed conformation positioned distantly by an ordered {alpha}-helical linker. A stretch of the amino-terminal domain unique to centrins appears disordered. Two xeroderma pigmentosum group C peptides both bound to centrin-2 also interact to form an {alpha}-helical coiled-coil. The interface between centrin-2 and each peptide is predominantly nonpolar, and key hydrophobic residues of XPC have been identified that lead us to propose a novel binding motif for centrin.

The Structure of the Human Centrin 2-Xeroderma Pigmentosum Group C Protein Complex

International Nuclear Information System (INIS)

Thompson, J.; Ryan, Z.; Salisbury, J.; Kumar, R.

2006-01-01

Human centrin-2 plays a key role in centrosome function and stimulates nucleotide excision repair by binding to the xeroderma pigmentosum group C protein. To determine the structure of human centrin-2 and to develop an understanding of molecular interactions between centrin and xeroderma pigmentosum group C protein, we characterized the crystal structure of calcium-loaded full-length centrin-2 complexed with a xeroderma pigmentosum group C peptide. Our structure shows that the carboxyl-terminal domain of centrin-2 binds this peptide and two calcium atoms, whereas the amino-terminal lobe is in a closed conformation positioned distantly by an ordered α-helical linker. A stretch of the amino-terminal domain unique to centrins appears disordered. Two xeroderma pigmentosum group C peptides both bound to centrin-2 also interact to form an α-helical coiled-coil. The interface between centrin-2 and each peptide is predominantly nonpolar, and key hydrophobic residues of XPC have been identified that lead us to propose a novel binding motif for centrin

Decomposition studies of group 6 hexacarbonyl complexes. Pt. 2. Modelling of the decomposition process

Energy Technology Data Exchange (ETDEWEB)

Usoltsev, Ilya; Eichler, Robert; Tuerler, Andreas [Paul Scherrer Institut (PSI), Villigen (Switzerland); Bern Univ. (Switzerland)

2016-11-01

The decomposition behavior of group 6 metal hexacarbonyl complexes (M(CO){sub 6}) in a tubular flow reactor is simulated. A microscopic Monte-Carlo based model is presented for assessing the first bond dissociation enthalpy of M(CO){sub 6} complexes. The suggested approach superimposes a microscopic model of gas adsorption chromatography with a first-order heterogeneous decomposition model. The experimental data on the decomposition of Mo(CO){sub 6} and W(CO){sub 6} are successfully simulated by introducing available thermodynamic data. Thermodynamic data predicted by relativistic density functional theory is used in our model to deduce the most probable experimental behavior of the corresponding Sg carbonyl complex. Thus, the design of a chemical experiment with Sg(CO){sub 6} is suggested, which is sensitive to benchmark our theoretical understanding of the bond stability in carbonyl compounds of the heaviest elements.

Task complexity and task, goal, and reward interdependence in group performance management : A prescriptive model

NARCIS (Netherlands)

van Vijfeijken, H.; Kleingeld, A.; van Tuijl, H.; Algera, J.A.; Thierry, Hk.

2002-01-01

A prescriptive model on how to design effective combinations of goal setting and contingent rewards for group performance management is presented. The model incorporates the constructs task complexity, task interdependence, goal interdependence, and reward interdependence and specifies optimal fit

Infinite dwell time and group delay in resonant electron tunneling through double complex potential barrier

Science.gov (United States)

Opacak, Nikola; Milanović, Vitomir; Radovanović, Jelena

2017-12-01

Tunneling times in complex potentials are investigated. Analytical expressions for dwell time, self-interference time and group delay are obtained for the case of complex double delta potentials. It is shown that we can always find a set of parameters of the potential so that the tunneling times achieve very large values and even approach infinity for the case of resonance. The phenomenon of infinite tunneling times occurs for only one particular positive value of the imaginary part of the potential, if all other parameters are given.

Antimony Complexes for Electrocatalysis: Activity of a Main-Group Element in Proton Reduction.

Science.gov (United States)

Jiang, Jianbing; Materna, Kelly L; Hedström, Svante; Yang, Ke R; Crabtree, Robert H; Batista, Victor S; Brudvig, Gary W

2017-07-24

Main-group complexes are shown to be viable electrocatalysts for the H 2 -evolution reaction (HER) from acid. A series of antimony porphyrins with varying axial ligands were synthesized for electrocatalysis applications. The proton-reduction catalytic properties of TPSb(OH) 2 (TP=5,10,15,20-tetra(p-tolyl)porphyrin) with two axial hydroxy ligands were studied in detail, demonstrating catalytic H 2 production. Experiments, in conjunction with quantum chemistry calculations, show that the catalytic cycle is driven via the redox activity of both the porphyrin ligand and the Sb center. This study brings insight into main group catalysis and the role of redox-active ligands during catalysis. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Complexation of vanadium with amidoxime and carboxyl groups. Uncovering the competitive role of vanadium in uranium extraction from seawater

Energy Technology Data Exchange (ETDEWEB)

Wang, Cong-Zhi; Wu, Qun-Yan; Lan, Jian-Hui; Shi, Wei-Qun [Chinese Academy of Sciences, Beijing (China). Inst. of High Energy Physics; Chai, Zhi-Fang [Chinese Academy of Sciences, Beijing (China). Inst. of High Energy Physics; Soochow Univ., Suzhou (China). School of Radiological and Interdisciplinary Sciences (RAD-X); Wu, Guo-Zhong [Chinese Academy of Sciences, Shanghai (China). Shanghai Inst. of Applied Physics

2017-09-01

At present, amidoxime-based adsorbents are considered to be the most promising materials for extraction of uranium from seawater. However, the high concentrations of transition metals especially vanadium strongly compete with uranium in the sequestration process, which is extremely limited the commercial use of amidoxime-based adsorbents. In this work, the coordination modes, bonding nature, and stabilities of possible vanadium(IV) (VO{sup 2+}) and (V) (VO{sub 2}{sup +}, VO{sup 3+}, V{sup 5+}) complexes with amidoximate (AO{sup -}), carboxyl (Ac{sup -}), glutarimidedioximate (HA{sup -}) and deprotonated glutarimidedioximate (A{sup 2-}) on single and double alkyl chains (R=C{sub 13}H{sub 26}) are systematically explored by quantum chemical calculations. Different from the uranyl (UO{sub 2}{sup 2+}) complexes, the AO{sup -} groups of the vanadium(IV) and (V) complexes prefer to coordinate as monodentate and chelate ligands, while few species with AO{sup -} groups in η{sup 2}-binding mode have been observed in the vanadium complexes. Besides, the vanadium complexes are predicted to have obvious covalent metal-ligand bonds. According to thermodynamic stability analysis, all the vanadium complexes with AO{sup -}, Ac{sup -}, HA{sup -} and A{sup 2-} ligands on double alkyl chains are found to be more stable than corresponding complexes with ligands on a single chain. The synergistic effect of the amidoxime and carboxyl groups can be observed in most of VO{sub 2}{sup +} and VO{sup 3+} complexes with mixed ligands (AO{sup -}/Ac{sup -}). The vanadium(IV) and (V) complexes are more stable than the corresponding uranyl complexes, and the adsorption capability of the amidoxime-based adsorbents toward vanadium(V) ions decrease in the order of VO{sub 2}{sup +}>VO{sup 3+}> V{sup 5+}. The dioxovanadium cation VO{sub 2}{sup +} is predicted to form multinuclear vanadium complex in the sequestration process, possibly resulting in higher stable VO{sub 2}{sup +} complexes. Therefore

Influence of a Heterocyclic Nitrogen-Donor Group on the Coordination of Trivalent Actinides and Lanthanides by Aminopolycarboxylate Complexants

Energy Technology Data Exchange (ETDEWEB)

Grimes, Travis S. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Heathman, Colt R. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Jansone-Popova, Santa [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Ivanov, Alexander S. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Roy, Santanu [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Bryantsev, Vyacheslav S. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Zalupski, Peter R. [Idaho National Lab. (INL), Idaho Falls, ID (United States)

2018-01-05

Here, the novel metal chelator N-2-(pyridylmethyl)diethylenetriamine-N,N',N",N"-tetraacetic acid (DTTA-PyM) was designed to replace a single oxygen-donor acetate group of the well-known aminopolycarboxylate complexant diethylenetriamine-N,N,N',N",N"-pentaacetic acid (DTPA) with a nitrogen-donor 2-pyridylmethyl. Potentiometric, spectroscopic, computational, and radioisotope distribution methods show distinct differences for the 4f and 5f coordination environments and enhanced actinide binding due to the nitrogen-bearing heterocyclic moiety. The Am³⁺, Cm³⁺, and Ln³⁺ complexation studies for DTTA-PyM reveal an enhanced preference, relative to DTPA, for trivalent actinide binding. Fluorescence studies indicate no changes to the octadentate coordination of trivalent curium, while evidence of heptadentate complexation of trivalent europium is found in mixtures containing EuHL_(aq) complexes at the same aqueous acidity. The denticity change observed for Eu³⁺ suggests that complex protonation occurs on the pyridyl nitrogen. Formation of the CmHL_(aq) complex is likely due to the protonation of an available carboxylate group because the carbonyl oxygen can maintain octadentate coordination through a rotation. The observed suppressed protonation of the pyridyl nitrogen in the curium complexes may be attributed to stronger trivalent actinide binding by DTTA-PyM. Density functional theory calculations indicate that added stabilization of the actinide complexes with DTTA-PyM may originate from π-back-bonding interactions between singly occupied 5f orbitals of Am³⁺ and the pyridyl nitrogen. The differences between the stabilities of trivalent actinide chelates (Am³⁺, Cm³⁺) and trivalent lanthanide chelates (La³⁺–Lu³⁺) are observed in liquid–liquid extraction systems, yielding unprecedented 4f/5f differentiation when using DTTA

Synthesis and Biological Evaluation of Ru(II) and Pt(II) Complexes Bearing Carboxyl Groups as Potential Anticancer Targeted Drugs.

Science.gov (United States)

Martínez, Ma Ángeles; Carranza, M Pilar; Massaguer, Anna; Santos, Lucia; Organero, Juan A; Aliende, Cristina; de Llorens, Rafael; Ng-Choi, Iteng; Feliu, Lidia; Planas, Marta; Rodríguez, Ana M; Manzano, Blanca R; Espino, Gustavo; Jalón, Félix A

2017-11-20

The synthesis and characterization of Pt(II) (1 and 2) and Ru(II) arene (3 and 4) or polypyridine (5 and 6) complexes is described. With the aim of having a functional group to form bioconjugates, one uncoordinated carboxyl group has been introduced in all complexes. Some of the complexes were selected for their potential in photodynamic therapy (PDT). The molecular structures of complexes 2 and 5, as well as that of the sodium salt of the 4'-(4-carboxyphenyl)-2,2':6',2″-terpyridine ligand (cptpy), were determined by X-ray diffraction. Different techniques were used to evaluate the binding capacity to model DNA molecules, and MTT cytotoxicity assays were performed against four cell lines. Compounds 3, 4, and 5 showed little tendency to bind to DNA and exhibited poor biological activity. Compound 2 behaves as bonded to DNA probably through a covalent interaction, although its cytotoxicity was very low. Compound 1 and possibly 6, both of which contain a cptpy ligand, were able to intercalate with DNA, but toxicity was not observed for 6. However, compound 1 was active in all cell lines tested. Clonogenic assays and apoptosis induction studies were also performed on the PC-3 line for 1. The photodynamic behavior for complexes 1, 5, and 6 indicated that their nuclease activity was enhanced after irradiation at λ = 447 nm. The cell viability was significantly reduced only in the case of 5. The different behavior in the absence or presence of light makes complex 5 a potential prodrug of interest in PDT. Molecular docking studies followed by molecular dynamics simulations for 1 and the counterpart without the carboxyl group confirmed the experimental data that pointed to an intercalation mechanism. The cytotoxicity of 1 and the potential of 5 in PDT make them good candidates for subsequent conjugation, through the carboxyl group, to "selected peptides" which could facilitate the selective vectorization of the complex toward receptors that are overexpressed in

Group 4 metallocene complexes with pendant nitrile groups

Czech Academy of Sciences Publication Activity Database

Pinkas, Jiří; Gyepes, R.; Kubišta, Jiří; Horáček, Michal; Lamač, Martin

2011-01-01

Roč. 696, 11-12 (2011), s. 2364-2372 ISSN 0022-328X R&D Projects: GA ČR GPP207/10/P200; GA MŠk(CZ) LC06070 Institutional research plan: CEZ:AV0Z40400503 Keywords : metallocene * group 4 elements * nitrile Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.384, year: 2011

A novel reduced-complexity group detection structure in MIMO frequency selective fading channels

KAUST Repository

Qaraqe, Khalid A.; Ahimian, Nariman R.; Alouini, Mohamed-Slim

2010-01-01

In this paper a novel reduced complexity detection method named modified symbol flipping method is introduced and its advantages on reducing the burden of the calculations at the receiver compared to the optimum maximum likelihood detection method on multiple input- multiple output frequency selective fading channels are explained. The initial concept of the symbol flipping method is derived from a preliminary detection scheme named bit flipping which was introduced in [1]. The detection structure employed in this paper is ing, detection, and cancellation. On the detection stage, the proposed method is employed and the results are compared to the group maximum likelihood detection scheme proposed in [2]. Simulation results show that a 6 dB performance gain can be achieved at the expense of a slight increase in complexity in comparison with the conventional symbol flipping scheme. © 2010 Crown.

A novel reduced-complexity group detection structure in MIMO frequency selective fading channels

KAUST Repository

Qaraqe, Khalid A.

2010-09-01

In this paper a novel reduced complexity detection method named modified symbol flipping method is introduced and its advantages on reducing the burden of the calculations at the receiver compared to the optimum maximum likelihood detection method on multiple input- multiple output frequency selective fading channels are explained. The initial concept of the symbol flipping method is derived from a preliminary detection scheme named bit flipping which was introduced in [1]. The detection structure employed in this paper is ing, detection, and cancellation. On the detection stage, the proposed method is employed and the results are compared to the group maximum likelihood detection scheme proposed in [2]. Simulation results show that a 6 dB performance gain can be achieved at the expense of a slight increase in complexity in comparison with the conventional symbol flipping scheme. © 2010 Crown.

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

Energy Technology Data Exchange (ETDEWEB)

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

2010-10-15

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

Study on a low complexity adaptive modulation algorithm in OFDM-ROF system with sub-carrier grouping technology

Science.gov (United States)

Liu, Chong-xin; Liu, Bo; Zhang, Li-jia; Xin, Xiang-jun; Tian, Qing-hua; Tian, Feng; Wang, Yong-jun; Rao, Lan; Mao, Yaya; Li, Deng-ao

2018-01-01

During the last decade, the orthogonal frequency division multiplexing radio-over-fiber (OFDM-ROF) system with adaptive modulation technology is of great interest due to its capability of raising the spectral efficiency dramatically, reducing the effects of fiber link or wireless channel, and improving the communication quality. In this study, according to theoretical analysis of nonlinear distortion and frequency selective fading on the transmitted signal, a low-complexity adaptive modulation algorithm is proposed in combination with sub-carrier grouping technology. This algorithm achieves the optimal performance of the system by calculating the average combined signal-to-noise ratio of each group and dynamically adjusting the origination modulation format according to the preset threshold and user's requirements. At the same time, this algorithm takes the sub-carrier group as the smallest unit in the initial bit allocation and the subsequent bit adjustment. So, the algorithm complexity is only 1 /M (M is the number of sub-carriers in each group) of Fischer algorithm, which is much smaller than many classic adaptive modulation algorithms, such as Hughes-Hartogs algorithm, Chow algorithm, and is in line with the development direction of green and high speed communication. Simulation results show that the performance of OFDM-ROF system with the improved algorithm is much better than those without adaptive modulation, and the BER of the former achieves 10e1 to 10e2 times lower than the latter when SNR values gets larger. We can obtain that this low complexity adaptive modulation algorithm is extremely useful for the OFDM-ROF system.

Complexation of cadmium to sulfur and oxygen functional groups in an organic soil

Science.gov (United States)

Karlsson, Torbjörn; Elgh-Dalgren, Kristin; Björn, Erik; Skyllberg, Ulf

2007-02-01

Cadmium (Cd) is a toxic trace element and due to human activities soils and waters are contaminated by Cd both on a local and global scale. It is widely accepted that chemical interactions with functional groups of natural organic matter (NOM) is vital for the bioavailability and mobility of trace elements. In this study the binding strength of cadmium (Cd) to soil organic matter (SOM) was determined in an organic (49% organic C) soil as a function of reaction time, pH and Cd concentration. In experiments conducted at native Cd concentrations in soil (0.23 μg g -1 dry soil), halides (Cl, Br) were used as competing ligands to functional groups in SOM. The concentration of Cd in the aqueous phase was determined by isotope-dilution (ID) inductively-coupled-plasma-mass-spectrometry (ICP-MS), and the activity of Cd 2+ was calculated from the well-established Cd-halide constants. At higher Cd loading (500-54,000 μg g -1), the Cd 2+ activity was directly determined by an ion-selective electrode (ISE). On the basis of results from extended X-ray absorption fine structure (EXAFS) spectroscopy, a model with one thiolate group (RS -) was used to describe the complexation (Cd 2+ + RS - ⇆ CdSR +; log KCdSR) at native Cd concentrations. The concentration of thiols (RSH; 0.047 mol kg -1 C) was independently determined by X-ray absorption near-edge structure (XANES) spectroscopy. Log KCdSR values of 11.2-11.6 (p Ka for RSH = 9.96), determined in the pH range 3.1-4.6, compare favorably with stability constants for the association between Cd and well-defined thiolates like glutathione. In the concentration range 500-54,000 μg Cd g -1, a model consisting of one thiolate and one carboxylate (RCOO -) gave the best fit to data, indicating an increasing role for RCOOH groups as RSH groups become saturated. The determined log KCdOOCR of 3.2 (Cd 2+ + RCOO - ⇆ CdOOCR +; log KCdOOCR; p Ka for RCOOH = 4.5) is in accordance with stability constants determined for the association between

Influence of metal loading and humic acid functional groups on the complexation behavior of trivalent lanthanides analyzed by CE-ICP-MS

Energy Technology Data Exchange (ETDEWEB)

Kautenburger, Ralf, E-mail: r.kautenburger@mx.uni-saarland.de [Institute of Inorganic Solid State Chemistry, Saarland University, Campus Dudweiler, Am Markt Zeile 3-5, D-66125 Saarbrücken (Germany); Hein, Christina; Sander, Jonas M. [Institute of Inorganic Solid State Chemistry, Saarland University, Campus Dudweiler, Am Markt Zeile 3-5, D-66125 Saarbrücken (Germany); Beck, Horst P. [Institute of Inorganic and Analytical Chemistry and Radiochemistry, Saarland University, Campus Dudweiler, Am Markt Zeile 5, D-66125 Saarbrücken (Germany)

2014-03-01

Highlights: • Free and complexed HA-Ln species are separated by CE-ICP-MS. • Weaker and stronger HA-binding sites for Ln-complexation can be detected. • Complexation by original and modified humic acid (HA) with blocked phenolic hydroxyl- and carboxyl-groups is compared. • Stronger HA-binding sites for Ln³⁺ can be assumed as chelating complexes. • Chelates consist of trivalent Ln and a combination of both OH- and COOH-groups. Abstract: The complexation behavior of Aldrich humic acid (AHA) and a modified humic acid (AHA-PB) with blocked phenolic hydroxyl groups for trivalent lanthanides (Ln) is compared, and their influence on the mobility of Ln(III) in an aquifer is analyzed. As speciation technique, capillary electrophoresis (CE) was hyphenated with inductively coupled plasma mass spectrometry (ICP-MS). For metal loading experiments 25 mg L⁻¹ of AHA and different concentrations (c _Ln(Eu+Gd)} = 100–6000 μg L⁻¹) of Eu(III) and Gd(III) in 10 mM NaClO₄ at pH 5 were applied. By CE-ICP-MS, three Ln-fractions, assumed to be uncomplexed, weakly and strongly AHA-complexed metal can be detected. For the used Ln/AHA-ratios conservative complex stability constants log β_LnAHA decrease from 6.33 (100 μg L⁻¹ Ln³⁺) to 4.31 (6000 μg L⁻¹ Ln³⁺) with growing Ln-content. In order to verify the postulated weaker and stronger humic acid binding sites for trivalent Eu and Gd, a modified AHA with blocked functional groups was used. For these experiments 500 μg L⁻¹ Eu and 25 mg L⁻¹ AHA and AHA-PB in 10 mM NaClO₄ at pH-values ranging from 3 to 10 have been applied. With AHA-PB, where 84% of the phenolic OH-groups and 40% of the COOH-groups were blocked, Eu complexation was significantly lower, especially at the strong binding sites. The log β-values decrease from 6.11 (pH 10) to 5.61 at pH 3 (AHA) and for AHA-PB from 6.01 (pH 7) to 3.94 at pH 3. As a potential consequence, particularly humic acids with a high amount of

Preparation and Characterization of Styrene Bearing Diethanolamine Side Group, Styrene Copolymer Systems, and Their Metal Complexes

Directory of Open Access Journals (Sweden)

Aslışah Açıkses

2018-01-01

Full Text Available The two copolymer systems of styrene bearing diethanol amine side group and styrene were prepared by free radical polymerization method at 60°C in presence of 1,4-dioxane as solvent and AIBN as initiator. Their metal complexes were prepared by reaction of the copolymer used as ligand P(DEAMSt-co-StL′′ and Ni(II and Co(II metal ions, which was carried out in presence of ethanol and NaOH at 65°C for 48 h in pH = 7.5. The structures of the copolymers used as ligand and metal complexes were identified by FT-IR, 1H-NMR spectra, and elemental analysis. The properties of the copolymers used as ligand and metal complexes were characterized by SEM-EDX, AAS, DSC, TGA, and DTA techniques. Then, the electrical properties of the copolymers and metal complexes were examined as a function of the temperature and frequency, and the activation energies (Ea were estimated with conductivity measurements.

Complex dynamics in supervised work groups

Science.gov (United States)

Dal Forno, Arianna; Merlone, Ugo

2013-07-01

In supervised work groups many factors concur to determine productivity. Some of them may be economical and some psychological. According to the literature, the heterogeneity in terms of individual capacity seems to be one of the principal causes for chaotic dynamics in a work group. May sorting groups of people with same capacity for effort be a solution? In the organizational psychology literature an important factor is the engagement in the task, while expectations are central in the economics literature. Therefore, we propose a dynamical model which takes into account both engagement in the task and expectations. An important lesson emerges. The intolerance deriving from the exposure to inequity may not be only caused by differences in individual capacities, but also by these factors combined. Consequently, solutions have to be found in this new direction.

Complexation des groupes oxoet nitruotechnetium par les dithioetherdithiols

International Nuclear Information System (INIS)

Drouillard, S.; Apparu, M.; Vidal, M.; Alagui, A.

1992-01-01

Complexation of the core 99m TcO 3+ by 2,10-dimethyl-4,8-dithiaundecane-2,10-dithiol (1) was achieved using a tin salt as reducing agent, and led to the formation of a stable neutral species I. With 5-butyl-3,7-dithianonane-1,9-dithiol (2) the same reaction leads to the formation of an unstable complex II which is difficult to isolate. Biological studies on the Swiss mouse have shown that only I is of interest (myocardial fixation greater than that of RP 30). In the case of complexes with a TcN core, two neutral species are always obtained, one from [ 99m TcNCL 4 ] - and one from 99m TcNCL 2 [P(CH 2 CH 2 CN) 3 ] 2 ; depending on the operating conditions it is possible to favour the formation of one or other species and to isolate them by purification. The biological results have proved rather disappointing. (Author)

Mitochondrial respiratory chain Complex I defects in Fanconi anemia complementation group A.

Science.gov (United States)

Ravera, Silvia; Vaccaro, Daniele; Cuccarolo, Paola; Columbaro, Marta; Capanni, Cristina; Bartolucci, Martina; Panfoli, Isabella; Morelli, Alessandro; Dufour, Carlo; Cappelli, Enrico; Degan, Paolo

2013-10-01

Fanconi anemia (FA) is a rare and complex inherited blood disorder of the child. At least 15 genes are associated with the disease. The highest frequency of mutations belongs to groups A, C and G. Genetic instability and cytokine hypersensitivity support the selection of leukemic over non-leukemic stem cells. FA cellular phenotype is characterized by alterations in red-ox state, mitochondrial functionality and energy metabolism as reported in the past however a clear picture of the altered biochemical phenotype in FA is still elusive and the final biochemical defect(s) still unknown. Here we report an analysis of the respiratory fluxes in FANCA primary fibroblasts, lymphocytes and lymphoblasts. FANCA mutants show defective respiration through Complex I, diminished ATP production and metabolic sufferance with an increased AMP/ATP ratio. Respiration in FANCC mutants is normal. Treatment with N-acetyl-cysteine (NAC) restores oxygen consumption to normal level. Defective respiration in FANCA mutants appear correlated with the FA pro-oxidative phenotype which is consistent with the altered morphology of FANCA mitochondria. Electron microscopy measures indeed show profound alterations in mitochondrial ultrastructure and shape. Copyright © 2013 Elsevier Masson SAS. All rights reserved.

The Tetramorium tortuosum species group (Hymenoptera, Formicidae, Myrmicinae revisited - taxonomic revision of the Afrotropical T. capillosum species complex

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Francisco Hita Garcia

2013-05-01

Full Text Available In this study we revise the taxonomy of the Tetramorium tortuosum species group members encountered in the Afrotropical region, which we have placed in its own subgroup: the T. capillosum species complex. We re-describe the two previously known species T. capillosum Bolton and T. tabarum Bolton, and describe the new species T. hecate sp. n. The geographic distribution of the three species appears to be restricted to the equatorial rainforests of Central Africa. We provide a diagnosis of the T. capillosum species complex, an illustrated identification key to species level, and worker-based species descriptions, which include diagnoses, discussions, high-quality montage images, and distribution maps. Furthermore, we discuss biogeography and composition of the globally distributed T. tortuosum group.

Complexity in cognitive assessment of elderly British minority ethnic groups: Cultural perspective.

Science.gov (United States)

Khan, Farooq; Tadros, George

2014-07-01

To study the influence of cultural believes on the acceptance and accessibility of dementia services by patients from British Minority Ethnic (BME) groups. It is noted that non-White ethnic populations rely more on cultural and religious concepts as coping mechanisms to overcome carer stress. In British Punjabi families, ageing was seen as an accepted reason for withdrawal and isolation, and cognitive impairment was rarely identified. Illiteracy added another complexity, only 35% of older Asians in a UK city could speak English, 21% could read and write English, while 73% could read and write in their first language. False positive results using Mini Mental State Examination was found to be 6% of non-impaired white people and 42% of non-impaired black people. Cognitive assessment tests under-estimate the abilities in BME groups. Wide range of variations among white and non-White population were found, contributors are education, language, literacy and culture-specific references. © The Author(s) 2013 Reprints and permissions: sagepub.co.uk/journalsPermissions.nav.

Supramolecular assembly of group 11 phosphorescent metal complexes for chemosensors of alcohol derivatives

Science.gov (United States)

Lintang, H. O.; Ghazalli, N. F.; Yuliati, L.

2018-04-01

We report on systematic study on vapochromic sensing of ethanol by using phosphorescent trinuclear metal pyrazolate complexes with supramolecular assembly of weak intermolecular metal-metal interactions using 4-(3,5-dimethoxybenzyl)-3,5-dimethyl pyrazole ligand (1) and group 11 metal ions (Cu(I), Ag(I), Au(I)). Upon excitation at 284, the resulting complexes showed emission bands with a peak centered at 616, 473 and 612 nm for 2(Cu), 2(Ag) and 2(Au), respectively. Chemosensor 2(Cu) showed positive response to ethanol vapors in 5 mins by blue-shifting its emission band from 616 to 555 nm and emitting bright orange to green. Otherwise 2(Au) gave shifting from its emission band centered at 612 to 587 nm with Δλ of 25 nm (41%) and color changes from red-orange to light green-orange while 2(Ag) showed quenching in its original emission intensity at 473 nm in 40% with color changes from dark green to less emissive. These results demonstrate that sensing capability of chemosensor 2(Cu) with suitable molecular design of ligand and metal ion in the complex is due to the formation of a weak intermolecular hydrogen bonding interaction of O atom at the methoxy of the benzyl ring with the OH of the vapors at the outside of the molecules.

Culture and group-based emotions: could group-based emotions be dialectical?

Science.gov (United States)

Lu, Minjie; Hamamura, Takeshi; Doosje, Bertjan; Suzuki, Satoko; Takemura, Kosuke

2017-08-01

Group-based emotions are experienced when individuals are engaged in emotion-provoking events that implicate the in-group. This research examines the complexity of group-based emotions, specifically a concurrence of positive and negative emotions, focusing on the role of dialecticism, or a set of folk beliefs prevalent in Asian cultures that views nature and objects as constantly changing, inherently contradictory, and fundamentally interconnected. Study 1 found that dialecticism is positively associated with the complexity of Chinese participants' group-based emotions after reading a scenario depicting a positive intergroup experience. Study 2 found that Chinese participants experienced more complex group-based emotions compared with Dutch participants in an intergroup situation and that this cultural difference was mediated by dialecticism. Study 3 manipulated dialecticism and confirmed its causal effect on complex group-based emotions. These studies also suggested the role of a balanced appraisal of an intergroup situation as a mediating factor.

On the origins of Balkan endemics: the complex evolutionary history of the Cyanus napulifer group (Asteraceae).

Science.gov (United States)

Olšavská, Katarína; Slovák, Marek; Marhold, Karol; Štubňová, Eliška; Kučera, Jaromír

2016-11-01

The Balkan Peninsula is one of the most important centres of plant diversity in Europe. Here we aim to fill the gap in the current knowledge of the evolutionary processes and factors modelling this astonishing biological richness by applying multiple approaches to the Cyanus napulifer group. To reconstruct the mode of diversification within the C. napulifer group and to uncover its relationships with potential relatives with x = 10 from Europe and Northern Africa, we examined variation in genetic markers (amplified fragment length polymorphisms [AFLPs]; 460 individuals), relative DNA content (4',6-diamidino-2-phenylindole [DAPI] flow cytometry, 330 individuals) and morphology (multivariate morphometrics, 40 morphological characters, 710 individuals). To elucidate its evolutionary history, we analysed chloroplast DNA (cpDNA) sequences of the genus Cyanus deposited in the GenBank database. The AFLPs revealed a suite of closely related entities with variable levels of differentiation. The C. napulifer group formed a genetically well-defined unit. Samples outside the group formed strongly diversified and mostly species-specific genetic lineages with no further geographical patterns, often characterized also by a different DNA content. AFLP analysis of the C. napulifer group revealed extensive radiation and split it into nine allopatric (sub)lineages with varying degrees of congruence among genetic, DNA-content and morphological patterns. Genetic admixture was usually detected in contact zones between genetic lineages. Plastid data indicated extensive maintenance of ancestral variation across Cyanus perennials. The C. napulifer group is an example of a rapidly and recently diversified plant group whose genetic lineages have evolved in spatio-temporal isolation on the topographically complex Balkan Peninsula. Adaptive radiation, accompanied in some cases by long-term isolation and hybridization, has contributed to the formation of this species complex and its mosaic

Electronic and steric influences of pendant amine groups on the protonation of molybdenum bis (dinitrogen) complexes

Energy Technology Data Exchange (ETDEWEB)

Labios, Liezel A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Heiden, Zachariah M. [Washington State Univ., Pullman, WA (United States); Mock, Michael T. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

2015-05-04

The synthesis of a series of P^EtP^NRR' (P^EtP^NRR' = Et₂PCH₂CH₂P(CH₂NRR')₂, R = H, R' = Ph or 2,4-difluorophenyl; R = R' = Ph or ⁱPr) diphosphine ligands containing mono- and disubstituted pendant amine groups, and the preparation of their corresponding molybdenum bis(dinitrogen) complexes trans-Mo(N₂)₂(PMePh₂)₂(P^EtP^NRR') is described. In situ IR and multinuclear NMR spectroscopic studies monitoring the stepwise addition of (HOTf) to trans-Mo(N₂)₂(PMePh₂)₂(P^EtP^NRR') complexes in THF at -40 °C show that the electronic and steric properties of the R and R' groups of the pendant amines influence whether the complexes are protonated at Mo, a pendant amine, a coordinated N2 ligand, or a combination of these sites. For example, complexes containing mono-aryl substituted pendant amines are protonated at Mo and pendant amine to generate mono- and dicationic Mo–H species. Protonation of the complex containing less basic diphenyl-substituted pendant amines exclusively generates a monocationic hydrazido (Mo(NNH₂)) product, indicating preferential protonation of an N₂ ligand. Addition of HOTf to the complex featuring more basic diisopropyl amines primarily produces a monocationic product protonated at a pendant amine site, as well as a trace amount of dicationic Mo(NNH₂) product that contain protonated pendant amines. In addition, trans-Mo(N₂)₂(PMePh₂)₂(depe) (depe = Et₂PCH₂CH₂PEt₂) without a pendant amine was synthesized and treated with HOTf, generating a monocationic Mo(NNH₂) product. Protonolysis experiments conducted on select complexes in the series afforded trace amounts of NH₄⁺. Computational analysis of the series of trans-Mo(N₂)₂(PMePh₂)₂(P^EtP^NRR') complexes provides further insight into the proton affinity values of the metal center, N�

Application of PCR – RFLP markers for identification of genetically delimited groups of the Calypogeia fissa complex (Jungermanniopsida, Calypogeiaceae

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Buczkowska Katarzyna

2015-06-01

Full Text Available Currently, two subspecies are formally recognized within Calypogeia fissa: C. fissa subsp. fissa occurring in Europe and C. fissa subsp. neogea known from North America. Genetic studies have revealed a complex structure of this species. Within the European part of distribution, three genetically distinct groups PS, PB and G are distinguished. The combination of the SCAR marker Cal04 and PCR-RFLP markers with three restriction enzymes (SmaI, TaqI and TspGWI allowed the recognition of all groups within the C. fissa complex. The TaqI enzyme recognizing the restriction sites in the PCR product of SCAR marker Ca104 turned out to be the best marker

Electrochemical Sensing of Casein Based on the Interaction between Its Phosphate Groups and a Ruthenium(III) Complex.

Science.gov (United States)

Inaba, Iku; Kuramitz, Hideki; Sugawara, Kazuharu

2016-01-01

A reaction to casein, along with β-lactoglobulin, is a main cause of milk allergies, and also is a useful indicator of protein in allergic analyses. In the present study, a simple casein sensor was developed based on the interaction between a phosphate group of casein and electroactive [Ru(NH3)6](3+). We evaluated the voltammetric behavior of a casein-[Ru(NH3)6](3+) complex using a glassy carbon electrode. When the ruthenium(III) complex was combined with the phosphate groups of casein, the structure of the casein was changed. Since the hydrophobicity of casein was increased due to the binding, the casein was adsorbed onto the electrode. Furthermore, we modified an electrode with a ruthenium(III) ions/collagen film. When the sensor was applied to the detection of the casein contained in milk, the values coincided with those indicated by the manufacturer. Accordingly, this electrode could be a powerful sensor for the determination of casein in several foods.

Towards Detecting Group Identities in Complex Artificial Societies

DEFF Research Database (Denmark)

Grappiolo, Corrado; Yannakakis, Georgios N.

2012-01-01

This paper presents a framework for modelling group struc- tures and dynamics in both artificial societies and human-populated vir- tual environments such as computer games. The group modelling (GM) framework proposed focuses on the detection of existing, pre-defined group structures and is compo......This paper presents a framework for modelling group struc- tures and dynamics in both artificial societies and human-populated vir- tual environments such as computer games. The group modelling (GM) framework proposed focuses on the detection of existing, pre-defined group structures...

Reclassification of the Candida haemulonii Complex as Candida haemulonii (C. haemulonii Group I), C. duobushaemulonii sp. nov. (C. haemulonii Group II), and C. haemulonii var. vulnera var. nov.: Three Multiresistant Human Pathogenic Yeasts

NARCIS (Netherlands)

Cendejas-Bueno, E.; Kolecka, A.; Alastruey-Izquierdo, A.; Theelen, B.; Groenewald, M.; Kostrzewa, M.; Cuenca-Estrella, M.; Gomez-Lopez, A.; Boekhout, T.

2012-01-01

The Candida haemulonii species complex is currently known as C. haemulonii groups I and II. Here we describe C. haemulonii group II as a new species, Candida duobushaemulonii sp. nov., and C. haemulonii var. vulnera as new a variety of C. haemulonii group I using phenotypic and molecular methods.

IR-UV double resonance spectroscopic investigation of phenylacetylene-alcohol complexes. Alkyl group induced hydrogen bond switching.

Science.gov (United States)

Singh, Prashant Chandra; Patwari, G Naresh

2008-06-12

The electronic transitions of phenylacetylene complexes with water and trifluoroethanol are shifted to the blue, while the corresponding transitions for methanol and ethanol complexes are shifted to the red relative to the phenylacetylene monomer. Fluorescence dip infrared (FDIR) spectra in the O-H stretching region indicate that, in all the cases, phenylacetylene is acting as a hydrogen bond acceptor to the alcohols. The FDIR spectrum in the acetylenic C-H stretching region shows Fermi resonance bands for the bare phenylacetylene, which act as a sensitive tool to probe the intermolecular structures. The FDIR spectra reveal that water and trifluoroethanol interact with the pi electron density of the acetylene C-C triple bond, while methanol and ethanol interact with the pi electron density of the benzene ring. It can be inferred that the hydrogen bonding acceptor site on phenylacetylene switches from the acetylene pi to the benzene pi with lowering in the partial charge on the hydrogen atom of the OH group. The most significant finding is that the intermolecular structures of water and methanol complexes are notably distinct, which, to the best of our knowledge, this is first such observation in the case of complexes of substituted benzenes.

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

Energy Technology Data Exchange (ETDEWEB)

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

1980-11-11

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

Stabilizing Group Treatment for Complex Posttraumatic Stress Disorder Related to Childhood Abuse Based on Psycho-Education and Cognitive Behavioral Therapy: A Pilot Study

Science.gov (United States)

Dorrepaal, Ethy; Thomaes, Kathleen; Smit, Johannes H.; van Balkom, Anton J. L. M.; van Dyck, Richard; Veltman, Dick J.; Draijer, Nel

2010-01-01

Objective: This study tests a Stabilizing Group Treatment protocol, designed for the management of the long-term sequelae of child abuse, that is, Complex Posttraumatic Stress Disorder (Complex PTSD). Evidence-based treatment for this subgroup of PTSD patients is largely lacking. This stabilizing treatment aims at improving Complex PTSD using…

Platinum-group elements fractionation by selective complexing, the Os, Ir, Ru, Rh-arsenide-sulfide systems above 1020 °C

Science.gov (United States)

Helmy, Hassan M.; Bragagni, Alessandro

2017-11-01

The platinum-group element (PGE) contents in magmatic ores and rocks are normally in the low μg/g (even in the ng/g) level, yet they form discrete platinum-group mineral (PGM) phases. IPGE (Os, Ir, Ru) + Rh form alloys, sulfides, and sulfarsenides while Pt and Pd form arsenides, tellurides, bismuthoids and antimonides. We experimentally investigate the behavior of Os, Ru, Ir and Rh in As-bearing sulfide system between 1300 and 1020 °C and show that the prominent mineralogical difference between IPGE (+Rh) and Pt and Pd reflects different chemical preference in the sulfide melt. At temperatures above 1200 °C, Os shows a tendency to form alloys. Ruthenium forms a sulfide (laurite RuS2) while Ir and Rh form sulfarsenides (irarsite IrAsS and hollingworthite RhAsS, respectively). The chemical preference of PGE is selective: IPGE + Rh form metal-metal, metal-S and metal-AsS complexes while Pt and Pd form semimetal complexes. Selective complexing followed by mechanical separation of IPGE (and Rh)-ligand from Pt- and Pd-ligand associations lead to PGE fractionation.

Revealing the hidden networks of interaction in mobile animal groups allows prediction of complex behavioral contagion.

Science.gov (United States)

Rosenthal, Sara Brin; Twomey, Colin R; Hartnett, Andrew T; Wu, Hai Shan; Couzin, Iain D

2015-04-14

Coordination among social animals requires rapid and efficient transfer of information among individuals, which may depend crucially on the underlying structure of the communication network. Establishing the decision-making circuits and networks that give rise to individual behavior has been a central goal of neuroscience. However, the analogous problem of determining the structure of the communication network among organisms that gives rise to coordinated collective behavior, such as is exhibited by schooling fish and flocking birds, has remained almost entirely neglected. Here, we study collective evasion maneuvers, manifested through rapid waves, or cascades, of behavioral change (a ubiquitous behavior among taxa) in schooling fish (Notemigonus crysoleucas). We automatically track the positions and body postures, calculate visual fields of all individuals in schools of ∼150 fish, and determine the functional mapping between socially generated sensory input and motor response during collective evasion. We find that individuals use simple, robust measures to assess behavioral changes in neighbors, and that the resulting networks by which behavior propagates throughout groups are complex, being weighted, directed, and heterogeneous. By studying these interaction networks, we reveal the (complex, fractional) nature of social contagion and establish that individuals with relatively few, but strongly connected, neighbors are both most socially influential and most susceptible to social influence. Furthermore, we demonstrate that we can predict complex cascades of behavioral change at their moment of initiation, before they actually occur. Consequently, despite the intrinsic stochasticity of individual behavior, establishing the hidden communication networks in large self-organized groups facilitates a quantitative understanding of behavioral contagion.

Symmetry Groups of the Austenite Lattice and Construction of Self-Accommodation Complexes of Martensite Crystals in Alloys with the Shape-Memory Effect

Science.gov (United States)

Khundjua, A. G.; Ptitsin, A. G.; Brovkina, E. A.

2018-01-01

The internal structure of experimentally observed self-accommodation complexes of martensite crystals, which is determined by the system of twinning planes, is studied in this work. The direct correlation of the construction type of the complexes with the subgroups of the austenite lattice symmetry group is shown.

Dissociation, shame, complex PTSD, child maltreatment and intimate relationship self-concept in dissociative disorder, chronic PTSD and mixed psychiatric groups.

Science.gov (United States)

Dorahy, Martin J; Middleton, Warwick; Seager, Lenaire; McGurrin, Patrick; Williams, Mary; Chambers, Ron

2015-02-01

Whilst a growing body of research has examined dissociation and other psychiatric symptoms in severe dissociative disorders (DDs), there has been no systematic examination of shame and sense of self in relationships in DDs. Chronic child abuse often associated with severe DDs, like dissociative identity disorder, is likely to heighten shame and relationship concerns. This study investigated complex posttraumatic stress disorder (PTSD), borderline and Schneiderian symptoms, dissociation, shame, child abuse, and various markers of self in relationships (e.g., relationship esteem, relationship depression, fear of relationships). Participants were assessed via clinical interview with psychometrically sound questionnaires. They fell into three diagnostic groups, dissociative disorder (n=39; primarily dissociative identity disorder), chronic PTSD (Chr-PTSD; n=13) or mixed psychiatric presentations (MP; n=21; primarily mood and anxiety disorders). All participants had a history of child abuse and/or neglect, and the groups did not differ on age and gender. The DD group was higher on nearly all measured variables than the MP group, and had more severe dissociative, borderline and Schneiderian symptoms than the Chr-PTSD sample. Shame and complex PTSD symptoms fell marginally short of predicting reductions in relationship esteem, pathological dissociative symptoms predicted increased relationship depression, and complex PTSD symptoms predicted fear of relationships. The representativeness of the samples was unknown. Severe psychiatric symptoms differentiate DDs from chronic PTSD, while dissociation and shame have a meaningful impact on specific markers of relationship functioning in psychiatric patients with a history of child abuse and neglect. Copyright © 2014 Elsevier B.V. All rights reserved.

Coxeter-like complexes

Directory of Open Access Journals (Sweden)

Eric Babson

2004-12-01

Full Text Available Motivated by the Coxeter complex associated to a Coxeter system (W,S, we introduce a simplicial regular cell complex Δ(G,S with a G-action associated to any pair (G,S where G is a group and S is a finite set of generators for G which is minimal with respect to inclusion. We examine the topology of Δ(G,S, and in particular the representations of G on its homology groups. We look closely at the case of the symmetric group S n minimally generated by (not necessarily adjacent transpositions, and their type-selected subcomplexes. These include not only the Coxeter complexes of type A, but also the well-studied chessboard complexes.

Photophysical studies of highly luminescent europium(III) and terbium(III) complexes functionalized with amino and mercapto groups

Energy Technology Data Exchange (ETDEWEB)

Souza, E.R.; Monteiro, J.H.S.K.; Mazali, I.O.; Sigoli, F.A., E-mail: fsigoli@iqm.unicam.br

2016-02-15

This work proposes the replacement of coordinated-water molecules from the precursor complexes [Ln(aba){sub 3}(H{sub 2}O)] and [Ln(tta){sub 3}(H{sub 2}O){sub 2}], (Ln=Eu{sup 3+}, Gd{sup 3+} or Tb{sup 3+}, aba{sup −}=aminobenzoate, tta{sup −}=thenoyltrifluoroacetonate) by the ligands mercaptobenzoate (mba{sup −}), mercaptopropionate (mpa{sup −}), phenanthroline (phen), dimethylformamide (dmf) and acetoacetanilide (aaa{sup −}), leading to anionic or neutral amino (–NH{sub 2}) or mercapto (–SH) functionalized-lantanides (III) complexes with reasonable emission quantum yields for potential application on fluorescence microscopy of biological moieties. The complexes photophysical properties were studied using luminescence spectroscopy and theoretical models to determine the transfer and back energy transfer rates and quantum yields, that were compared with experimental ones. The anionic complexes [Eu(tta){sub 3}(L)]{sup −} showed high quantum yield values and their sensitization efficiency are in the range of 39–81%. The overlay of the ground state geometries, obtained from the Sparkle/PM3 model, of the complexes [Eu(tta){sub 3}(aba)]{sup −}, [Eu(tta){sub 3}(mba)]{sup −} and [Eu(tta){sub 3}(mpa)]{sup −}, suggest similar coordination polyhedrons occupied by the europium(III). The highest transfer rates T→{sup 5}D{sub 1,0} were obtained for the anionic complexes [Eu(tta){sub 3}(L)]{sup −} which might be a result of the low triplet level energies and R{sub L} values. - Highlights: • Lanthanides functionalized-complexes. • Free mercapto and amino groups. • Covalence degree of Eu-ligands. • Energy transfer rates. • Intrinsic and absolute quantum yields and sensitization.

On dependence of stability of lanthanum complexes with aminopolycarboxylic acids on the complex structure

International Nuclear Information System (INIS)

Poluehktov, N.S.; Meshkova, S.B.; Danilkovich, M.M.; Topilova, Z.M.

1985-01-01

Regularities in changes of stability constants of lanthanum complexes with aminopolycarboxylic acids (APA) versus their structure are studied, The stability of lathanum-APA complexes depends mainly on the number of carboxyl groups in a ligand molecule. At that, the highest stability constant is characteristic of a complex with a ligand, containing 3 nitrogen atoms and 5 carboxyl groups, in the presenoe of which the lanthanum ion coordination sphere gets satupated. The oxyethy group introduction into a ligand molecule also improves the lanthanum complex stability but to a lesser degree than during the introduction of a carboxyl group. The number of nitrogen atoms in a ligand polecule affects insignificantly the complex stability constant value, and the elongation of a chain of CH 2 groups, separating nitrogen atoms, reduces the constant to a -0.6 power

Community Engagement in a complex intervention to improve access to primary mental health care for hard-to-reach groups.

Science.gov (United States)

Lamb, Jonathan; Dowrick, Christopher; Burroughs, Heather; Beatty, Susan; Edwards, Suzanne; Bristow, Kate; Clarke, Pam; Hammond, Jonathan; Waheed, Waquas; Gabbay, Mark; Gask, Linda

2015-12-01

Despite the availability of effective evidence-based treatments for depression and anxiety, many 'harder-to-reach' social and patient groups experience difficulties accessing treatment. We developed a complex intervention, the AMP (Improving Access to Mental Health in Primary Care) programme, which combined community engagement (CE), tailored (individual and group) psychosocial interventions and primary care involvement. To develop and evaluate a model for community engagement component of the complex intervention. This paper focuses on the development of relationships between stakeholders, their engagement with the issue of access to mental health and with the programme through the CE model. Our evaluation draws on process data, qualitative interviews and focus groups, brought together through framework analysis to evaluate the issues and challenges encountered. A case study of the South Asian community project carried out in Longsight in Greater Manchester, United Kingdom. Complex problems require multiple local stakeholders to work in concert. Assets based approaches implicitly make demands on scarce time and resources. Community development approaches have many benefits, but perceptions of open-ended investment are a barrier. The time-limited nature of a CE intervention provides an impetus to 'do it now', allowing stakeholders to negotiate their investment over time and accommodating their wider commitments. Both tangible outcomes and recognition of process benefits were vital in maintaining involvement. CE interventions can play a key role in improving accessibility and acceptability by engaging patients, the public and practitioners in research and in the local service ecology. © 2014 John Wiley & Sons Ltd.

Chemistry of complexing molecules and environment. Report of the working group of the Cea ''mission environment''; Chimie des complexants en environnements. Rapport du groupe de travail de la mission environnement

Energy Technology Data Exchange (ETDEWEB)

Petit, J C

1998-07-01

The Working group 'Chemistry of Complexing Molecules and Environment' of the Mission Environment (AG/ENV) identified themes for an original positioning of CEA on important issues of environmental research if a sufficiently strong demand appears. The research of CEA on the environment should be complementary to actions undertaken by other partners (official institutions, research organizations and industrial firms). The themes suggested are: the synthesis of new chelating molecules and new materials having specific properties, with the support of theoretical chemistry and modeling, analytical physical chemistry and speciation of species in relation to their eco-toxicity and their biogeochemical mobility in the natural environment. These themes, illustrated by examples of actions in progress at CEA or likely to be launched quickly, draw largely from recognized competences of the teams, generally developed for finalized nuclear applications: experimental, theoretical and instrumental competences. (author)

Subgroup complexes

CERN Document Server

Smith, Stephen D

2011-01-01

This book is intended as an overview of a research area that combines geometries for groups (such as Tits buildings and generalizations), topological aspects of simplicial complexes from p-subgroups of a group (in the spirit of Brown, Quillen, and Webb), and combinatorics of partially ordered sets. The material is intended to serve as an advanced graduate-level text and partly as a general reference on the research area. The treatment offers optional tracks for the reader interested in buildings, geometries for sporadic simple groups, and G-equivariant equivalences and homology for subgroup complexes.

Ruthenium complexing in sorption by granulated sorbents with ethylene diamine and diethyl amine groups

International Nuclear Information System (INIS)

Simanova, S.A.; Kolmakova, A.I.; Konovalov, L.V.; Kukushkin, Yu.N.; Kalalova, E.

1986-01-01

The sorption process of ruthenium (4) chlorocomplexes - K 2 (RuCl 6 ) macroporous granulated copolymers of glycidylmethacrylate ethylene dimethacrylate with ethylene diamine and diethyl amine has been studied. Sorption has been carried out under the static conditions (at 20 and 98 deg C) from 0.1-2.0 MxHCl and 1.0 M NaCl solutions. It is established that the sorption from acidic solutions proceeds according to anion exchange mechanism with formation of onium chlorocomplexes in the sorbent phase, subjecting to Anderson regrouping during the heating. During the sorption from neutral solutions the second-sphere coordination of polymer amino groups accirs near ruthenium atom and amino-chloride complexes are formed in the sorbent phase

Measures of Morphological Complexity of Gray Matter on Magnetic Resonance Imaging for Control Age Grouping

Directory of Open Access Journals (Sweden)

Tuan D. Pham

2015-12-01

Full Text Available Current brain-age prediction methods using magnetic resonance imaging (MRI attempt to estimate the physiological brain age via some kind of machine learning of chronological brain age data to perform the classification task. Such a predictive approach imposes greater risk of either over-estimate or under-estimate, mainly due to limited training data. A new conceptual framework for more reliable MRI-based brain-age prediction is by systematic brain-age grouping via the implementation of the phylogenetic tree reconstruction and measures of information complexity. Experimental results carried out on a public MRI database suggest the feasibility of the proposed concept.

Decarbonylative Cross-Couplings: Nickel Catalyzed Functional Group Interconversion Strategies for the Construction of Complex Organic Molecules

KAUST Repository

Guo, Lin; Rueping, Magnus

2018-01-01

The utilization of carboxylic acid esters as electrophiles in metal-catalyzed cross-coupling reactions is increasingly popular, as environmentally friendly and readily available ester derivatives can be powerful alternatives to the commonly used organohalides. However, key challenges associated with the use of these chemicals remain to be addressed, including the stability of ester substrates and the high energy barrier associated with their oxidative addition to low-valent metal species. Due to recent developments in nickel catalysis that make it easier to perform oxidative additions, chemists have become interested in applying less reactive electrophiles as coupling counterparts in nickel-catalyzed transformations. Hence, our group and others have independently investigated various ester group substitutions and functionalizations enabled by nickel catalysis. Such methods are of great interest as they enable the exchange of ester groups, which can be used as directing groups in metal-catalyzed C-H functionalizations prior to their replacement. Here, we summarize our recent efforts toward the development of nickel-catalyzed decarbonylative cross-coupling reactions of carboxylic esters. Achievements accomplished by other groups in this area are also included. To this day, a number of new transformations have been successfully developed, including decarbonylative arylations, alkylations, cyanations, silylations, borylations, aminations, thioetherifications, stannylations, and hydrogenolysis reactions. These transformations proceed via a nickel-catalyzed decarbonylative pathway and have shown a high degree of reactivity and chemoselectivity, as well as several other unique advantages in terms of substrate availability, due to the use of esters as coupling partners. Although the mechanisms of these reactions have not yet been fully understood, chemists have already provided some important insights. For example, Yamamoto explored the stoichiometric nickel

Decarbonylative Cross-Couplings: Nickel Catalyzed Functional Group Interconversion Strategies for the Construction of Complex Organic Molecules.

Science.gov (United States)

Guo, Lin; Rueping, Magnus

2018-05-15

The utilization of carboxylic acid esters as electrophiles in metal-catalyzed cross-coupling reactions is increasingly popular, as environmentally friendly and readily available ester derivatives can be powerful alternatives to the commonly used organohalides. However, key challenges associated with the use of these chemicals remain to be addressed, including the stability of ester substrates and the high energy barrier associated with their oxidative addition to low-valent metal species. Due to recent developments in nickel catalysis that make it easier to perform oxidative additions, chemists have become interested in applying less reactive electrophiles as coupling counterparts in nickel-catalyzed transformations. Hence, our group and others have independently investigated various ester group substitutions and functionalizations enabled by nickel catalysis. Such methods are of great interest as they enable the exchange of ester groups, which can be used as directing groups in metal-catalyzed C-H functionalizations prior to their replacement. Here, we summarize our recent efforts toward the development of nickel-catalyzed decarbonylative cross-coupling reactions of carboxylic esters. Achievements accomplished by other groups in this area are also included. To this day, a number of new transformations have been successfully developed, including decarbonylative arylations, alkylations, cyanations, silylations, borylations, aminations, thioetherifications, stannylations, and hydrogenolysis reactions. These transformations proceed via a nickel-catalyzed decarbonylative pathway and have shown a high degree of reactivity and chemoselectivity, as well as several other unique advantages in terms of substrate availability, due to the use of esters as coupling partners. Although the mechanisms of these reactions have not yet been fully understood, chemists have already provided some important insights. For example, Yamamoto explored the stoichiometric nickel

Decarbonylative Cross-Couplings: Nickel Catalyzed Functional Group Interconversion Strategies for the Construction of Complex Organic Molecules

KAUST Repository

Guo, Lin

2018-04-13

The utilization of carboxylic acid esters as electrophiles in metal-catalyzed cross-coupling reactions is increasingly popular, as environmentally friendly and readily available ester derivatives can be powerful alternatives to the commonly used organohalides. However, key challenges associated with the use of these chemicals remain to be addressed, including the stability of ester substrates and the high energy barrier associated with their oxidative addition to low-valent metal species. Due to recent developments in nickel catalysis that make it easier to perform oxidative additions, chemists have become interested in applying less reactive electrophiles as coupling counterparts in nickel-catalyzed transformations. Hence, our group and others have independently investigated various ester group substitutions and functionalizations enabled by nickel catalysis. Such methods are of great interest as they enable the exchange of ester groups, which can be used as directing groups in metal-catalyzed C-H functionalizations prior to their replacement. Here, we summarize our recent efforts toward the development of nickel-catalyzed decarbonylative cross-coupling reactions of carboxylic esters. Achievements accomplished by other groups in this area are also included. To this day, a number of new transformations have been successfully developed, including decarbonylative arylations, alkylations, cyanations, silylations, borylations, aminations, thioetherifications, stannylations, and hydrogenolysis reactions. These transformations proceed via a nickel-catalyzed decarbonylative pathway and have shown a high degree of reactivity and chemoselectivity, as well as several other unique advantages in terms of substrate availability, due to the use of esters as coupling partners. Although the mechanisms of these reactions have not yet been fully understood, chemists have already provided some important insights. For example, Yamamoto explored the stoichiometric nickel

[Statement of the Polish Gynecological Society Expert Group on the use of Macmiror Complex 500].

Science.gov (United States)

2012-12-01

The group of experts representing the Polish Gynecologic Society has issued this statement based on the review of available literature on the potential benefits of the use of Macmiror Complex 500 in obstetrical and gynecologic practice. Mixed Vaginitis (MV) eg. the vaginal infection caused by at least two out of the triad of pathogens (fungi, bacteria and Trichomonas Vaginalis [TV]), constitutes the type of vaginitis which is underestimated as for its prevalence. Mixed pathogens are responsible for as much as one third of all vaginal infections. Macmiror Complex 500 contains two active ingredients: nifuratel and nystatin. Macmiror Complex 500 affects all common causes of vulvovaginitis, i.e. bacteria, yeasts and TV. At the same time, it is not effective against Lactobacillus spp., which is a clear advantage in the treatment of vaginal infections. The antibacterial spectrum of nifuratel includes aerobic and anaerobic bacteria. Moreover nifuratel is effective against Chlamydia trachomatis and Mycoplasma spp., it has an anti-trichomonal effect comparable to metranidazole and shows certain activity against Candida spp. Nystatin is effective against Candida albicans and is even very effective against Candida glabrata which is usually more resistant to imidazole antifungal agents. Nystatin's importance is rising due to the current increase of candidoses caused by non-albicans types. This increase is especially perceptible in recurring candidoses. The review of the available literature on the effectiveness of Macmiror Complex 500 in the OB/GYN practice leads to the following conclusions: the exeptionally broad antibacterial and antifungal and trichomonicidal activity of this formulation makes it a drug of choice in cases where MV is suspected. The possibility to treat both partners, favorable safety profile in pregnant patients and the availability of both vaginal ovules and the cream with applicator makes this drug an effective and suitable treatment option in

String cohomology groups of complex projective spaces

DEFF Research Database (Denmark)

Ottosen, Iver; Bökstedt, Marcel

2007-01-01

Let X be a space and write LX for its free loop space equipped with the action of the circle group T given by dilation. The equivariant cohomology H*(LXhT;Z/p) is a module over H*(BT;Z/p). We give a computation of this module when X=CPr for any positive integer r and any prime number p. The compu......Let X be a space and write LX for its free loop space equipped with the action of the circle group T given by dilation. The equivariant cohomology H*(LXhT;Z/p) is a module over H*(BT;Z/p). We give a computation of this module when X=CPr for any positive integer r and any prime number p...

Metastatic Group 3 Medulloblastoma in a Patient With Tuberous Sclerosis Complex: Case Description and Molecular Characterization of the Tumor.

Science.gov (United States)

Moavero, Romina; Folgiero, Valentina; Carai, Andrea; Miele, Evelina; Ferretti, Elisabetta; Po, Agnese; Diomedi Camassei, Francesca; Lepri, Francesca Romana; Vigevano, Federico; Curatolo, Paolo; Valeriani, Massimiliano; Colafati, Giovanna S; Locatelli, Franco; Tornesello, Assunta; Mastronuzzi, Angela

2016-04-01

Medulloblastoma is the most common pediatric brain tumor. We describe a child with tuberous sclerosis complex that developed a Group 3, myc overexpressed, metastatic medulloblastoma (MB). Considering the high risk of treatment-induced malignancies, a tailored therapy, omitting radiation, was given. Based on the evidence of mammalian target of rapamycin mTORC, mTOR Complex; RAS, Rat sarcoma; RAF, rapidly accelerated fibrosarcoma (mTOR) pathway activation in the tumor, targeted therapy was applied resulting in complete remission of disease. Although the PI3K/AKT/mTOR signaling pathway plays a role in MB, we did not find TSC1/TSC2 (TSC, tuberous sclerosis complex) mutation in our patient. We speculate that a different pathway resulting in mTOR activation is the basis of both TSC and MB in this child; H&E, haematoxilin and eosin; Gd, gadolinium. © 2015 Wiley Periodicals, Inc.

Treatment compliance and effectiveness in complex PTSD patients with co-morbid personality disorder undergoing stabilizing cognitive behavioral group treatment: a preliminary study

Directory of Open Access Journals (Sweden)

Ethy Dorrepaal

2013-11-01

Full Text Available Background: In the empirical and clinical literature, complex posttraumatic stress disorder (PTSD and personality disorders (PDs are suggested to be predictive of drop-out or reduced treatment effectiveness in trauma-focused PTSD treatment. Objective: In this study, we aimed to investigate if personality characteristics would predict treatment compliance and effectiveness in stabilizing complex PTSD treatment. Method: In a randomized controlled trial on a 20-week stabilizing group cognitive behavioral treatment (CBT for child-abuse-related complex PTSD, we included 71 patients of whom 38 were randomized to a psycho-educational and cognitive behavioral stabilizing group treatment. We compared the patients with few PD symptoms (adaptive (N=14 with the non-adaptive patients (N=24 as revealed by a cluster analysis. Results: We found that non-adaptive patients compared to the adaptive patients showed very low drop-out rates. Both non-adaptive patients, classified with highly different personality profiles “withdrawn” and “aggressive,” were equally compliant. With regard to symptom reduction, we found no significant differences between subtypes. Post-hoc, patients with a PD showed lower drop-out rates and higher effect sizes in terms of complex PTSD severity, especially on domains that affect regulation and interpersonal problems. Conclusion: Contrary to our expectations, these preliminary findings indicate that this treatment is well tolerated by patients with a variety of personality pathology. Larger sample sizes are needed to study effectiveness for subgroups of complex PTSD patients.

Competitive platinum-group-metal (PGM) supply from the Eastern Limb, Bushveld Complex: Geological, mining and mineral economic aspects

CSIR Research Space (South Africa)

McGill, JE

2011-08-01

Full Text Available -GROUP-METAL (PGM) SUPPLY FROM THE EASTERN LIMB, BUSHVELD COMPLEX: GEOLOGICAL, MINING, AND MINERAL ECONOMIC ASPECTS Dr. Jeannette E. McGill & Prof. Murray W. Hitzman ACKNOWLEDGEMENTS ? COUNCIL FOR SCIENTIFIC AND INDUSTRIAL RESEARCH (CSIR) ? Centre for Mining... Innovation ? Office of Graduate Studies, Fogarty Endowment ? Mr. VISHNU PILLAY (EXECUTIVE HEAD: JV?S ? Anglo Platinum) ? ACADEMIC ADVISORS Prof. Murray Hitzman (Economic Geology); Dr. Hugh Miller (Mining Engineering); Prof. Rodderick Eggert (Mineral...

Bifurcation and complex dynamics of a discrete-time predator-prey system involving group defense

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S. M. Sohel Rana

2015-09-01

Full Text Available In this paper, we investigate the dynamics of a discrete-time predator-prey system involving group defense. The existence and local stability of positive fixed point of the discrete dynamical system is analyzed algebraically. It is shown that the system undergoes a flip bifurcation and a Neimark-Sacker bifurcation in the interior of R+2 by using bifurcation theory. Numerical simulation results not only show the consistence with the theoretical analysis but also display the new and interesting dynamical behaviors, including phase portraits, period-7, 20-orbits, attracting invariant circle, cascade of period-doubling bifurcation from period-20 leading to chaos, quasi-periodic orbits, and sudden disappearance of the chaotic dynamics and attracting chaotic set. The Lyapunov exponents are numerically computed to characterize the complexity of the dynamical behaviors.

Culture and group-based emotions? : Could group-based emotions be dialectical

NARCIS (Netherlands)

Lu, M.; Hamamura, T.; Doosje, B.; Suzuki, S.; Takemura, K.

2016-01-01

Group-based emotions are experienced when individuals are engaged in emotion-provoking events that implicate the in-group. This research examines the complexity of group-based emotions, specifically a concurrence of positive and negative emotions, focusing on the role of dialecticism, or a set of

Evaluating the impact of a disease management program for chronic complex conditions at two large northeast health plans using a control group methodology.

Science.gov (United States)

Schwerner, Henry; Mellody, Timothy; Goldstein, Allan B; Wansink, Daryl; Sullivan, Virginia; Yelenik, Stephan N; Charlton, Warwick; Lloyd, Kelley; Courtemanche, Ted

2006-02-01

The objective of this study was to observe trends in payer expenditures for plan members with one of 14 chronic, complex conditions comparing one group with a disease management program specific to their condition (the intervention group) and the other with no specific disease management program (the control group) for these conditions. The authors used payer claims and membership data to identify members eligible for the program in a 12-month baseline year (October 2001 to September 2002) and a subsequent 12-month program year (October 2002 to September 2003). Two payers were analyzed: one health plan with members primarily in New Jersey (AmeriHealth New Jersey [AHNJ]), where the disease management program was offered, and one affiliated large plan with members primarily in the metro Philadelphia area, where the program was not offered. The claims payment policy for both plans is identical. Intervention and control groups were analyzed for equivalence. The analysis was conducted in both groups over identical time periods. The intervention group showed statistically significant (p control group. Intervention group members showed a reduction in expenditures of -8%, while control group members showed an increase of +10% over identical time periods. Subsequent analyses controlling for outliers and product lines served to confirm the overall results. The disease management program is likely responsible for the observed difference between the intervention and control group results. A well-designed, targeted disease management program offered by a motivated, supportive health plan can play an important role in cost improvement strategies for members with complex, chronic conditions.

Group decision-making: Factors that affect group effectiveness

Directory of Open Access Journals (Sweden)

Juliana Osmani

2016-03-01

Full Text Available Organizations are operating in a dynamic and turbulent environment. In these conditions, they have to make decisions for new problems or situations. Most of decisions are therefore non-programmed and unstructured, accompanied by risk and uncertainty. Moreover, the problems and situations are complex. All organizations are oriented towards group decisionmaking processes, as useful tools to cope with uncertainty and complexity. Apart from the necessity, companies are turning towards participatory processes also to benefit from the important advantages that these processes offer. Organizations have realized the importance of group decision-making processes to contribute to the creation of sustainable competitive advantages. Main objective of this paper is to show that group decision-making processes do not offer guarantee for good decisions, because the effectiveness of group is affected by many factors. So, the first thing done in this paper is discussing about the benefits and limitations that accompany the use of groups with decision-making purpose. Afterwards, we stop on the different factors that influence the group’s ability to make good decisions. The aim is to emphasize that regardless of the many advantages of groups, some factors as group size, type of communication within the group, leadership style, the norms, the differentiation of roles and statuses, cohesion and compliance degree should be the main elements to keep into consideration because they affect the effectiveness of group. In this regard, is discussed how such factors influence the quality of decision and then we try to draw some conclusions that can improve and make better and easier group decision-making processes.

Economic potential of the Rooiberg Group: volcanic rocks in the floor and roof of the Bushveld Complex

Science.gov (United States)

Schweitzer, J. K.; Hatton, C. J.; de Waal, S. A.

1995-04-01

Volcanic rocks of the Rooiberg Group are preserved in the floor and roof of the mafic Rustenburg Layered Suite of the Bushveld Complex. Field and geochemical characteristics of these volcanic rocks imply that they are genetically related to the Rustenburg Layered Suite. Four major ore-forming events are identified in the Rooiberg Group. The first phase was accompanied by volcanic hosted, fault controlled, hydrothermal copper mineralisation, which is found in the lowermost portion of the Rooiberg Group, underlying the Rustenburg Layered Suite. This type of mineralisation is tentatively linked to initial Rustenburg Layered Suite intrusions. Stratabound arsenic mineralisation that possibly formed in response to contact metamorphism, characterises the second phase, and occurred after extrusion of the Damwal Formation, possibly due to shallow granophyric intrusion. The third mineralising event occurred in response to contact metamorphism during the final stages of the Rustenburg Layered Suite, where especially Pb and Zn were introduced into the felsite roof rocks. This type of mineralisation affected the majority of the Rooiberg Group, but is most pronounced towards the contact with the Rustenburg Layered Suite. The fourth phase is restricted to the Rooiberg Group in the Nylstroom area and is linked to the granite intrusions of the Lebowa Granite Suite, from which Sn and F were introduced into the uppermost felsite succession. Mineralisation in the Rooiberg Group appears to be controlled by the character and intrusion level of the associated Bushveld magmas. Different styles of mineralisation in Rooiberg Group volcanic rocks are encountered at various stratigraphic levels. Major primary volcanogenic ore deposits appear to be absent.

Complex cobordism and stable homotopy groups of spheres

CERN Document Server

Ravenel, Douglas C

2003-01-01

Since the publication of its first edition, this book has served as one of the few available on the classical Adams spectral sequence, and is the best account on the Adams-Novikov spectral sequence. This new edition has been updated in many places, especially the final chapter, which has been completely rewritten with an eye toward future research in the field. It remains the definitive reference on the stable homotopy groups of spheres. The first three chapters introduce the homotopy groups of spheres and take the reader from the classical results in the field though the computational aspects

A new species of Labidocera (Copepoda, Calanoida, Pontellidae) collected from Okinawa, southwestern Japan, with establishment of five Indo-West Pacific species groups in the L.detruncata species complex.

Science.gov (United States)

Hirabayashi, Takeshi; Ohtsuka, Susumu

2014-01-01

Labidocerachuraumi sp. n. is described from Okinawa, southwestern Japan. The female of the new species differs from other congeners in genital compound somite with right postero-lateral and left antero-lateral processes. The male is distinguished from other congeners by the structure of the fifth leg. This new species is assigned to a newly proposed species group, the Labidoceramadurae species group, within the Labidoceradetruncata species complex. In this species complex five Indo-West Pacific species groups are recognized (cervi, detruncata, gangetica, madurae, and pavo) and defined on the basis of difference in sexual dimorphism.

Synthesis of group 10 metal complexes with a new unsymmetrical PN3P-pincer ligand through ligand post-modification: Structure and reactivity

KAUST Repository

Wang, Xiufang

2017-01-01

A post-modification strategy are used to synthesize a new class of diimine-amido PN3P-pincer group-10 transition metal complexes. The coordination chemistry and the thermal stabilities of their organometallic derivatives are characterized and investigated.

A new species of Labidocera (Copepoda, Calanoida, Pontellidae collected from Okinawa, southwestern Japan, with establishment of five Indo-West Pacific species groups in the L. detruncata species complex

Directory of Open Access Journals (Sweden)

Takeshi Hirabayashi

2014-10-01

Full Text Available Labidocera churaumi sp. n. is described from Okinawa, southwestern Japan. The female of the new species differs from other congeners in genital compound somite with right postero-lateral and left antero-lateral processes. The male is distinguished from other congeners by the structure of the fifth leg. This new species is assigned to a newly proposed species group, the L. madurae species group, within the L. detruncata species complex. In this species complex five Indo-West Pacific species groups are recognized (cervi, detruncata, gangetica, madurae, and pavo and defined on the basis of difference in sexual dimorphism.

A new species of Labidocera (Copepoda, Calanoida, Pontellidae) collected from Okinawa, southwestern Japan, with establishment of five Indo-West Pacific species groups in the L. detruncata species complex

Science.gov (United States)

Hirabayashi, Takeshi; Ohtsuka, Susumu

2014-01-01

Abstract Labidocera churaumi sp. n. is described from Okinawa, southwestern Japan. The female of the new species differs from other congeners in genital compound somite with right postero-lateral and left antero-lateral processes. The male is distinguished from other congeners by the structure of the fifth leg. This new species is assigned to a newly proposed species group, the Labidocera madurae species group, within the Labidocera detruncata species complex. In this species complex five Indo-West Pacific species groups are recognized (cervi, detruncata, gangetica, madurae, and pavo) and defined on the basis of difference in sexual dimorphism. PMID:25349514

A chemical approach for site-specific identification of NMR signals from protein side-chain NH3+ groups forming intermolecular ion pairs in protein–nucleic acid complexes

International Nuclear Information System (INIS)

Anderson, Kurtis M.; Nguyen, Dan; Esadze, Alexandre; Zandrashvili, Levani; Gorenstein, David G.; Iwahara, Junji

2015-01-01

Protein–nucleic acid interactions involve intermolecular ion pairs of protein side-chain and DNA or RNA phosphate groups. Using three protein–DNA complexes, we demonstrate that site-specific oxygen-to-sulfur substitution in phosphate groups allows for identification of NMR signals from the protein side-chain NH 3 + groups forming the intermolecular ion pairs. A characteristic change in their 1 H and 15 N resonances upon this modification (i.e., substitution of phosphate to phosphorodithioate) can represent a signature of an intermolecular ion pair. Hydrogen-bond scalar coupling between protein side-chain 15 N and DNA phosphorodithiaote 31 P nuclei provides direct confirmation of the intermolecular ion pair. The same approach is likely applicable to protein–RNA complexes as well

Structure of a supergravity group

International Nuclear Information System (INIS)

Ogievetsky, V.; Sokatchev, E.

1978-01-01

The supergravity group is found to be the direct product of general covariance groups in complex conjugated left and right handed superspaces. The ordinary space-time coordinate and the axial gravitational superfield are the real and imaginary parts of the complex coordinate, respectively. It is pointed out that a number of questions concerning the formalism remains open. For instance how to define superfields with external indices, supercovariant derivatives and invariants of the group, etc. However, the extremely simple and clear geometrical picture of the supergravity group given here will provide an adequate basis for the supergravity theory

Molecular Self-Assembly of Group 11 Pyrazolate Complexes as Phosphorescent Chemosensors for Detection of Benzene

Science.gov (United States)

Ghazalli, N. F.; Yuliati, L.; Lintang, H. O.

2018-01-01

We highlight the systematic study on vapochromic sensing of aromatic vapors such as benzene using phosphorescent trinuclear pyrazolate complexes (2) with supramolecular assembly of a weak intermolecular metal-metal interaction consisting of 4-(3,5-dimethoxybenzyl)-3,5-dimethyl pyrazole ligand (1) and group 11 metal ions (Cu(I), Ag(I), Au(I)). The resulting chemosensor 2(Cu) revealed positive response to benzene vapors in 5 mins by blue-shifting its emission band in 44 nm (from 616 to 572 nm) and emitted bright orange to green, where this change cannot be recovered even with external stimuli. Comparing to 2(Ag) with longer metal-metal distance (473 nm) with same sensing time and quenching in 37%, 2(Au) gave quenching in 81% from its original intensity at 612 nm with reusability in 82% without external stimuli and emitted less emissive of red-orange from its original color. The shifting phenomenon in 2(Cu) suggests diffusion of benzene vapors to inside molecules for formation of intermolecular interaction with Cu(I)-Cu(I) interaction while quenching phenomenon in 2(Au) suggests diffusion of benzene vapors to between the Au(I)-Au(I) interaction. These results indicate that suitable molecular structure of ligand and metal ion in pyrazolate complex is important for designing chemosensor in the detection of benzene vapors.

Facilitating Group Decision-Making: Facilitator's Subjective Theories on Group Coordination

Directory of Open Access Journals (Sweden)

Michaela Kolbe

2008-10-01

Full Text Available A key feature of group facilitation is motivating and coordinating people to perform their joint work. This paper focuses on group coordination which is a prerequisite to group effectiveness, especially in complex tasks. Decision-making in groups is a complex task that consequently needs to be coordinated by explicit rather than implicit coordination mechanisms. Based on the embedded definition that explicit coordination does not just happen but is purposely executed by individuals, we argue that individual coordination intentions and mechanisms should be taken into account. Thus far, the subjective perspective of coordination has been neglected in coordination theory, which is understandable given the difficulties in defining and measuring subjective aspects of group facilitation. We therefore conducted focused interviews with eight experts who either worked as senior managers or as experienced group facilitators and analysed their approaches to group coordination using methods of content analysis. Results show that these experts possess sophisticated mental representations of their coordination behaviour. These subjective coordination theories can be organised in terms of coordination schemes in which coordination-releasing situations are facilitated by special coordination mechanisms that, in turn, lead to the perception of specific consequences. We discuss the importance of these subjective coordination theories for effectively facilitating group decision-making and minimising process losses. URN: urn:nbn:de:0114-fqs0901287

Rhenium and technetium: application of organometallic rhenium and technetium complexes in radiopharmacy. Evaluation of optimal anchor groups

International Nuclear Information System (INIS)

Alberto, R.; Schibli, R.; Egli, A.; Schaffland, A.; Rattat, D.; Mueller, J.; Iftimia, M.; Berke, H.; Kaden, T.A.; Abram, U.

1997-01-01

The coordinative properties of the '[fac-M(CO) 3 ] + ' moiety (M= 188 Re, Re, 99 Tc and 99m Tc) have been investigated in water and organic solvents in order to evaluate the anchor group attached to antibodies, small peptides and biologically active molecules. The preparation of [M(OH 2 ) 3 (CO) 3 ] + has been improved in a way that this complex can be prepared from a Kit formulation. The '[fac-M(CO) 3 ] + ' has been transformed to the '[fac-M(NO)(CO) 2 ] 2+ ' moiety to achieve higher direct labelling yields and faster incorporation kinetics. (author) 5 figs

S-Adenosylmethionine conformations in solution and in protein complexes: Conformational influences of the sulfonium group

DEFF Research Database (Denmark)

Markham, George D.; Norrby, Per-Ola; Bock, Charles W.

2002-01-01

S-Adenosylmethionine (AdoMet) and other sulfonium ions play central roles in the metabolism of all organisms. The conformational preferences of AdoMet and two other biologically important sulfonium ions, S-methylmethionine and dimethylsulfonioproprionic acid, have been investigated by NMR...... and computational studies. Molecular mechanics parameters for the sulfonium center have been developed for the AMBER force field to permit analysis of NMR results and to enable comparison of the relative energies of the different conformations of AdoMet that have been found in crystal structures of complexes...... with proteins. S-Methylmethionine and S-dimethylsulfonioproprionate adopt a variety of conformations in aqueous solution; a conformation with an electrostatic interaction between the sulfonium sulfur and the carboxylate group is not noticeably favored, in contrast to the preferred conformation found by in vacuo...

Synthesis, characterization, X-ray crystal structure and conductometry studying of a number of new Schiff base complexes; a new example of binuclear square pyramidal geometry of Cu(II) complex bridged with an oxo group

Science.gov (United States)

Golbedaghi, Reza; Alavipour, Ehsan

2015-11-01

Three new binuclear Cu(II), Mn(II), Co(II) complexes [Cu2(L) (ClO4)](ClO4)2 (1), [Mn2(L) (ClO4)](ClO4)2 (2), and [Co2(L) (ClO4)](ClO4)2 (3), {L = 1,3-bis(2-((Z)-(2-aminopropylimino)methyl)phenoxy)propan-2-ol} have been synthesized. Single crystal X-ray structure analysis of complex 1 showed that the complex is binuclear and all nitrogen and oxygen atoms of ligand (N4O3) are coordinated to two Cu(II) center ions. In addition, the crystal structure studying shows, a perchlorate ion has been bridged to the Cu(II) metal centers. However, two distorted square pyramidal Cu(II) ions are bridged asymmetrically by a perchlorate ion and oxygen of hydroxyl group of Schiff base ligand. In addition, the conductometry behaviors of all complexes were studied in acetonitrile solution.

Chemistry of complexing molecules and environment. Report of the working group of the Cea ''mission environment''; Chimie des complexants en environnements. Rapport du groupe de travail de la mission environnement

Energy Technology Data Exchange (ETDEWEB)

Petit, J.C

1998-07-01

The Working group 'Chemistry of Complexing Molecules and Environment' of the Mission Environment (AG/ENV) identified themes for an original positioning of CEA on important issues of environmental research if a sufficiently strong demand appears. The research of CEA on the environment should be complementary to actions undertaken by other partners (official institutions, research organizations and industrial firms). The themes suggested are: the synthesis of new chelating molecules and new materials having specific properties, with the support of theoretical chemistry and modeling, analytical physical chemistry and speciation of species in relation to their eco-toxicity and their biogeochemical mobility in the natural environment. These themes, illustrated by examples of actions in progress at CEA or likely to be launched quickly, draw largely from recognized competences of the teams, generally developed for finalized nuclear applications: experimental, theoretical and instrumental competences. (author)

Lipid solubility of the platinum group metals Pt, Pd and Rh in dependence on the presence of complexing agents

International Nuclear Information System (INIS)

Zimmermann, Sonja; Menzel, Christoph M.; Stueben, Doris; Taraschewski, Horst; Sures, Bernd

2003-01-01

All complexing agents had a significant influence on octanol solubility of PGM. - Investigations on the bioaccumulation of the platinum group metals (PGM) Pt, Pd and Rh in aquatic organisms are of growing interest in environmental research due to the increasing emission of these metals by motor vehicles with catalytic converters. Until now, nothing is known about the possible influence of complexing agents on the bioaccumulation capacity of these precious metals. According to the partition coefficient between 1-octanol and water (P OW ) as a measure of bioaccumulation, in this study a simple shaking method was performed in order to investigate the effects of different complexing agents (L-methionine, thio urea, EDTA, humic substances, bile compounds) on the octanol solubility of the PGM. The results demonstrated a significant influence of all agents used. L-Methionine and thio urea decreased the lipid solubility. In contrast, the presence of EDTA, humic substances and especially bile caused a higher transfer of metals in the octanol phase. For most complexing agents tested, the transfer of Pd to the lipid phase was significantly higher compared with Rh and Pt, except for bile acid where the highest octanol solubility was found for Pt. Recent experimental results on PGM accumulation in zebra mussels confirm a high bioaccumulation of Pd which could be predicted from the lipid solubility

Lipid solubility of the platinum group metals Pt, Pd and Rh in dependence on the presence of complexing agents

Energy Technology Data Exchange (ETDEWEB)

Zimmermann, Sonja; Menzel, Christoph M.; Stueben, Doris; Taraschewski, Horst; Sures, Bernd

2003-07-01

All complexing agents had a significant influence on octanol solubility of PGM. - Investigations on the bioaccumulation of the platinum group metals (PGM) Pt, Pd and Rh in aquatic organisms are of growing interest in environmental research due to the increasing emission of these metals by motor vehicles with catalytic converters. Until now, nothing is known about the possible influence of complexing agents on the bioaccumulation capacity of these precious metals. According to the partition coefficient between 1-octanol and water (P{sub OW}) as a measure of bioaccumulation, in this study a simple shaking method was performed in order to investigate the effects of different complexing agents (L-methionine, thio urea, EDTA, humic substances, bile compounds) on the octanol solubility of the PGM. The results demonstrated a significant influence of all agents used. L-Methionine and thio urea decreased the lipid solubility. In contrast, the presence of EDTA, humic substances and especially bile caused a higher transfer of metals in the octanol phase. For most complexing agents tested, the transfer of Pd to the lipid phase was significantly higher compared with Rh and Pt, except for bile acid where the highest octanol solubility was found for Pt. Recent experimental results on PGM accumulation in zebra mussels confirm a high bioaccumulation of Pd which could be predicted from the lipid solubility.

Student groups as learning entities : The effect of group diversity and teamwork quality on groups' cognitive complexity

NARCIS (Netherlands)

Curseu, P.L.; Pluut, H.

2013-01-01

Collaborative learning has important group-level benefits, yet most studies in higher education only focus on individual benefits of collaborative learning experiences. This study extends these insights by testing a model in which teamwork quality mediates the impact of several compositional

A Statistical Physics Characterization of the Complex Systems Dynamics: Quantifying Complexity from Spatio-Temporal Interactions

Science.gov (United States)

Koorehdavoudi, Hana; Bogdan, Paul

2016-06-01

Biological systems are frequently categorized as complex systems due to their capabilities of generating spatio-temporal structures from apparent random decisions. In spite of research on analyzing biological systems, we lack a quantifiable framework for measuring their complexity. To fill this gap, in this paper, we develop a new paradigm to study a collective group of N agents moving and interacting in a three-dimensional space. Our paradigm helps to identify the spatio-temporal states of the motion of the group and their associated transition probabilities. This framework enables the estimation of the free energy landscape corresponding to the identified states. Based on the energy landscape, we quantify missing information, emergence, self-organization and complexity for a collective motion. We show that the collective motion of the group of agents evolves to reach the most probable state with relatively lowest energy level and lowest missing information compared to other possible states. Our analysis demonstrates that the natural group of animals exhibit a higher degree of emergence, self-organization and complexity over time. Consequently, this algorithm can be integrated into new frameworks to engineer collective motions to achieve certain degrees of emergence, self-organization and complexity.

Synthesis and evaluation structure/extracting and complexing properties of new bi-topic ligands for group actinides extraction

International Nuclear Information System (INIS)

Bisson, J.

2011-01-01

The aim of this project is to design and study new extractants for spent nuclear fuel reprocessing. To decrease the long-term radiotoxicity of the waste, the GANEX process is an option to homogeneously recycle actinides. All actinides (U, Np, Pu, Am, Cm) would be extracted together from a highly acidic media and separated from fission products (especially from lanthanides). In this context, fourteen new bi-topic ligands constituted of a nitrogen poly-aromatic unit from the dipyridyl-phenanthroline and dipyridyl-1,3,5-triazine families and functionalized by amid groups were synthesized. Extraction studies performed with some of these ligands confirmed their interest to selectively separate actinides at different oxidation states from an aqueous solution 3M HNO 3 . To determine the influence of ligands structure on cation complexation, a study in a homogenous media (MeOH/H 2 O) has been carried out. Electro-spray ionization mass spectrometry have been used to characterize the complexes stoichiometries formed with several cations (Eu 3+ , Nd 3+ , Am 3+ , Pu 4+ and NpO 2 + ). Stability constants, evaluated by UV-Visible spectrophotometry, confirm the selectivity of these ligands toward actinides. Lanthanides and actinides complexes have also been characterized in the solid state by infra-red spectroscopy and X-Ray diffraction. Associated to nuclear magnetic resonance experiments and DFT calculations (Density Functional Theory), a better knowledge of their coordination mode was achieved. (author) [fr

Group theory and its applications

CERN Document Server

Loebl, Ernest M

1975-01-01

Group Theory and its Applications, Volume III covers the two broad areas of applications of group theory, namely, all atomic and molecular phenomena, as well as all aspects of nuclear structure and elementary particle theory.This volume contains five chapters and begins with an introduction to Wedderburn's theory to establish the structure of semisimple algebras, algebras of quantum mechanical interest, and group algebras. The succeeding chapter deals with Dynkin's theory for the embedding of semisimple complex Lie algebras in semisimple complex Lie algebras. These topics are followed by a rev

Astrophyllite-group minerals from the Ilímaussaq complex, South Greenland (contribution to the mineralogy of Ilímaussaq no. 123)

DEFF Research Database (Denmark)

Macdonald, R.; Karup-Møller, Sven; Rose-Hansen, J.

2007-01-01

in the formation of kupletskite in some rocks. Altered zones in certain astrophyllites and niobophyllites have compositional features similar to the type 'hydroastrophyllite'. The astrophyllite-group minerals in the hydrothermal veins crystallized at temperatures below 400°C at 1 kbar and under high pH and low......Electron microprobe analyses are presented for astrophyllite-group minerals from hydrothermal veins and pegmatites of the Ilimaussaq complex, South Greenland. The analyses fall mainly into two groups: (1) niobophyllites with the highest Nb/(Nb+Ti) ratios yet recorded (∼0.9), occurring only...... oxygen fugacity, whereas those in the pegmatites were formed from water-rich melts which were hotter (≥450°C), less basic and more oxidized. © 2007 The Mineralogical Society....

Consolidated techniques for groups of enterprises with complex structure

Directory of Open Access Journals (Sweden)

Cristina Ciuraru-Andrica

2009-12-01

Full Text Available The preparation and disclosure of the financial statements of a group of enterprises involves some consolidation techniques. The Literature presents many techniques, but in practice are used two of them. They will be described first of all in a particular manner and after that in a comparative one. The group of entities can choose one of these techniques, the final result (the consolidated financial statements being the same, whatever the option.

Student Groups as Learning Entities: The Effect of Group Diversity and Teamwork Quality on Groups' Cognitive Complexity

Science.gov (United States)

Curseu, Petru L.; Pluut, Helen

2013-01-01

Collaborative learning has important group-level benefits, yet most studies in higher education only focus on individual benefits of collaborative learning experiences. This study extends these insights by testing a model in which teamwork quality mediates the impact of several compositional differences (gender, nationality and teamwork expertise…

Response to "Treatment compliance and effectiveness in complex PTSD patients with co-morbid personality disorder undergoing stabilizing cognitive behavioral group treatment: a preliminary study"

NARCIS (Netherlands)

de Jongh, A.; ten Broeke, E.

2014-01-01

Last November, the European Journal of Psychotraumatology published an interesting paper entitled "Treatment compliance and effectiveness in complex PTSD patients with co-morbid personality disorder undergoing stabilizing cognitive behavioral group treatment: a preliminary study". This article

Covariant differential complexes of quantum linear groups

International Nuclear Information System (INIS)

Isaev, A.P.; Pyatov, P.N.

1993-01-01

We consider the possible covariant external algebra structures for Cartan's 1-forms (Ω) on G L q (N) and S L q (N). Our starting point is that Ω s realize an adjoint representation of quantum group and all monomials of Ω s possess the unique ordering. For the obtained external algebras we define the differential mapping d possessing the usual nilpotence condition, and the generally deformed version of Leibnitz rules. The status of the known examples of G L q (N)-differential calculi in the proposed classification scheme and the problems of S L q (N)-reduction are discussed. (author.). 26 refs

Explosive Technology Group

Data.gov (United States)

Federal Laboratory Consortium — The Explosive Technology Group (ETG) provides diverse technical expertise and an agile, integrated approach to solve complex challenges for all classes of energetic...

Polycomb group protein-mediated repression of transcription

DEFF Research Database (Denmark)

Morey, Lluís; Helin, Kristian

2010-01-01

The polycomb group (PcG) proteins are essential for the normal development of multicellular organisms. They form multi-protein complexes that work as transcriptional repressors of several thousand genes controlling differentiation pathways during development. How the PcG proteins work as transcri......The polycomb group (PcG) proteins are essential for the normal development of multicellular organisms. They form multi-protein complexes that work as transcriptional repressors of several thousand genes controlling differentiation pathways during development. How the PcG proteins work...... as transcriptional repressors is incompletely understood, but involves post-translational modifications of histones by two major PcG protein complexes: polycomb repressive complex 1 and polycomb repressive complex 2....

Toroidal groups line bundles, cohomology and quasi-Abelian varieties

CERN Document Server

Kopfermann, Klaus

2001-01-01

Toroidal groups are the connecting link between torus groups and any complex Lie groups. Many properties of complex Lie groups such as the pseudoconvexity and cohomology are determined by their maximal toroidal subgroups. Quasi-Abelian varieties are meromorphically separable toroidal groups. They are the natural generalisation of the Abelian varieties. Nevertheless, their behavior can be completely different as the wild groups show.

Transition metal complexes bearing NHC ligands substituted with secondary polyfluoroalkyl groups

Czech Academy of Sciences Publication Activity Database

Kolaříková, V.; Šimůnek, O.; Rybáčková, M.; Cvačka, Josef; Březinová, Anna; Kvíčala, J.

2015-01-01

Roč. 44, č. 45 (2015), s. 19663-19673 ISSN 1477-9226 Institutional support: RVO:61388963 Keywords : complexes * catalysis * Suzuki-Miyaura coupling Subject RIV: CA - Inorganic Chemistry Impact factor: 4.177, year: 2015

The binding of Xanthophylls to the bulk light-harvesting complex of photosystem II of higher plants. A specific requirement for carotenoids with a 3-hydroxy-beta-end group.

Science.gov (United States)

Phillip, Denise; Hobe, Stephan; Paulsen, Harald; Molnar, Peter; Hashimoto, Hideki; Young, Andrew J

2002-07-12

The pigment composition of the light-harvesting complexes (LHCs) of higher plants is highly conserved. The bulk complex (LHCIIb) binds three xanthophyll molecules in combination with chlorophyll (Chl) a and b. The structural requirements for binding xanthophylls to LHCIIb have been examined using an in vitro reconstitution procedure. Reassembly of the monomeric recombinant LHCIIb was performed using a wide range of native and nonnative xanthophylls, and a specific requirement for the presence of a hydroxy group at C-3 on a single beta-end group was identified. The presence of additional substituents (e.g. at C-4) did not interfere with xanthophyll binding, but they could not, on their own, support reassembly. cis isomers of zeaxanthin, violaxanthin, and lutein were not bound, whereas all-trans-neoxanthin and different chiral forms of lutein and zeaxanthin were incorporated into the complex. The C-3 and C-3' diols lactucaxanthin (a carotenoid native to many plant LHCs) and eschscholtzxanthin (a retro-carotenoid) both behaved very differently from lutein and zeaxanthin in that they would not support complex reassembly when used alone. Lactucaxanthin could, however, be bound when lutein was also present, and it showed a high affinity for xanthophyll binding site N1. In the presence of lutein, lactucaxanthin was readily bound to at least one lutein-binding site, suggesting that the ability to bind to the complex and initiate protein folding may be dependent on different structural features of the carotenoid molecule. The importance of carotenoid end group structure and ring-to-chain conformation around the C-6-C-7 torsion angle of the carotenoid molecule in binding and complex reassembly is discussed.

Effect of pendant group length upon metal ion complexation in acetonitrile by di-ionized calix[4]arenes bearing two dansyl fluorophores.

Science.gov (United States)

Ocak, Ummühan; Ocak, Miraç; Shen, Xin; Surowiec, Kazimierz; Bartsch, Richard A

2009-11-01

A series of three di-ionizable calix[4]arenes with two pendant dansyl (1-dimethylaminonaphthalene-5-sulfonyl) groups linked to the lower rims was synthesized. Structures of the three ligands were identical except for the length of the spacers which connected the two dansyl groups to the calix[4]arene scaffold. Following conversion of the ligands into their di-ionized di(tetramethylammonium) salts, absorption and emission spectrophotometry were utilized to probe the influence of metal cation (Li+, Na+, K+, Rb+, Cs+, Mg2+, Ca2+, Sr2+, Ba2+, Ag+, Cd2+, Co2+, Fe2+, Hg2+, Mn2+, Pb2+, Zn2+ and Fe3+) complexation in acetonitrile. Upon complexation with these metal cations, emission spectra underwent marked red shifts and quenching of the dansyl group fluorescence for the di-ionized ligand with the shortest spacer. A similar effect was noted for the di-ionized ligand with an intermediate spacer for all of the metal ions, except Ba2+. For the di-ionized ligand with the longest spacer, the metal cations showed different effects on the emission spectrum. Li+, Mg2+, Ca2+ and Ba2+ caused enhancement of emission intensity with a red shift. Other metal cations produce quenching with red shifts in the emission spectra. Transition metal cations interacted strongly with all three di-ionized ligands. In particular, Fe3+ and Hg2+ caused greater than 99% quenching of the dansyl fluorescence in the di-ionized ligands.

A chemical approach for site-specific identification of NMR signals from protein side-chain NH{sub 3}{sup +} groups forming intermolecular ion pairs in protein–nucleic acid complexes

Energy Technology Data Exchange (ETDEWEB)

Anderson, Kurtis M. [University of Texas Health Science Center at Houston, Department of NanoMedicine and Biomedical Engineering and Institute of Molecular Medicine (United States); Nguyen, Dan; Esadze, Alexandre; Zandrashvili, Levani [University of Texas Medical Branch, Department of Biochemistry and Molecular Biology, Sealy Center for Structural Biology and Molecular Biophysics (United States); Gorenstein, David G. [University of Texas Health Science Center at Houston, Department of NanoMedicine and Biomedical Engineering and Institute of Molecular Medicine (United States); Iwahara, Junji, E-mail: juiwahar@utmb.edu, E-mail: j.iwahara@utmb.edu [University of Texas Medical Branch, Department of Biochemistry and Molecular Biology, Sealy Center for Structural Biology and Molecular Biophysics (United States)

2015-05-15

Protein–nucleic acid interactions involve intermolecular ion pairs of protein side-chain and DNA or RNA phosphate groups. Using three protein–DNA complexes, we demonstrate that site-specific oxygen-to-sulfur substitution in phosphate groups allows for identification of NMR signals from the protein side-chain NH{sub 3}{sup +} groups forming the intermolecular ion pairs. A characteristic change in their {sup 1}H and {sup 15}N resonances upon this modification (i.e., substitution of phosphate to phosphorodithioate) can represent a signature of an intermolecular ion pair. Hydrogen-bond scalar coupling between protein side-chain {sup 15}N and DNA phosphorodithiaote {sup 31}P nuclei provides direct confirmation of the intermolecular ion pair. The same approach is likely applicable to protein–RNA complexes as well.

Clarithromycin therapy for bacteremic Mycobacterium avium complex disease. A randomized, double-blind, dose-ranging study in patients with AIDS. AIDS Clinical Trials Group Protocol 157 Study Team.

Science.gov (United States)

Chaisson, R E; Benson, C A; Dube, M P; Heifets, L B; Korvick, J A; Elkin, S; Smith, T; Craft, J C; Sattler, F R

1994-12-15

To determine the antimicrobial activity and tolerability of clarithromycin for treating bacteremic Mycobacterium avium complex disease in patients with the acquired immunodeficiency syndrome (AIDS). A randomized, double-blind, dose-ranging study. Outpatient clinics. 154 patients with human immunodeficiency virus (HIV) infection and blood cultures positive for M. avium complex who had symptomatic disease. Random assignment to clarithromycin at dosages of 500 mg, 1000 mg, or 2000 mg twice daily for 12 weeks. Median number of colony-forming units of M. avium complex per milliliter of blood. Clarithromycin decreased mycobacterial CFUs from 2.7 to 2.8 log 10/mL of blood at baseline to less than 0 log 10/mL during follow-up (P groups. Clarithromycin-resistant isolates of M. avium complex developed in 46% of patients at a median of 16 weeks. Median survival was longer in patients assigned to 500 mg twice daily (median, 249 days) than in patients assigned to 1000 mg or 2000 mg. Death in the first 12 weeks was lowest in the 500-mg group (P = 0.007). Clarithromycin therapy acutely decreased M. avium complex bacteremia in patients with HIV infection by more than 99%. Clarithromycin, 500 mg twice daily, was well tolerated and associated with better survival. Emergence of clarithromycin-resistant organisms was an important problem.

Online Group Work Design: Processes, Complexities, and Intricacies

Science.gov (United States)

Kleinsasser, Robert; Hong, Yi-Chun

2016-01-01

This paper describes the challenges of designing and implementing online group work. We are responsible for a seven-and-a-half week's online literacy and bi-literacy graduate course in a Bilingual/English as a Second Language (BLE/ESL) Master of Arts program. One of the tasks includes online literacy circle exchanges where students are encouraged…

Linkage group-chromosome correlations in Sordaria macrospora: Chromosome identification by three dimensional reconstruction of their synaptonemal complex.

Science.gov (United States)

Zickler, D; Leblon, G; Haedens, V; Collard, A; Thuriaux, P

1984-01-01

Reconstruction of serially sectioned zygotene and pachytene nuclei has allowed, by measuring the lengths of synaptonemal complexes, an assignment of the 7 linkage (LG) groups to the 7 chromosomes in the fungus Sordaria macrospora. The 7 LG have been established using 19 mutants showing low second division segregation frequencies. Eight chromosomal rearrangements mapped on the 7 LG were used to identify the chromosomes involved. The following one to one assignment of the 7 LG to specific chromosomes was obtained: LG a: chromosome (chr) 1, LG b: chr5, LG c: chr6, LG d: chr7, LG e: chr4, LG f: chr3 and LG g: chr2 (the chromosome carrying the nucleolus organizer region).

The synthesis and properties of some organometallic compounds containing group IV (Ge, Sn)-group II (Zn, Cd) metal---metal bonds

NARCIS (Netherlands)

Des Tombe, F.J.A.; Kerk, G.J.M. van der; Creemers, H.M.J.C.; Carey, N.A.D.; Noltes, J.G.

1972-01-01

The reactions of triphenylgermane and triphenyltin hydride with coordinatively saturated organozinc or organocadmium compounds give organometallic complexes containing Group IV (Ge, Sn)-Group II(Zn, Cd) metal---metal bonds. The 2,2′-bipyridine complexes show solvent-dependent charge-transfer

Chemistry of the uranyl group. VI. Complexes of uranyl with hexamethylphosphoramide and urea

Energy Technology Data Exchange (ETDEWEB)

Zarli, B; Dall' olio, G; Sindellari, L [Consiglio Nazionale delle Ricerche, Padua (Italy). Lab. di Chimica e Tecnologia dei Radioelementi

1976-01-01

Some uranyl complexes with hexamethylphosphoramide (HMPA) and urea were prepared and characterized. The compounds with the former ligand have the general formula UO/sub 2/X/sub 2/.HMPA (where X = (C/sub 2/H/sub 5/)/sub 2/NCSe/sub 2//sup -/, (C/sub 2/H/sub 5/)/sub 2/NCS/sub 2//sup -/ or CH/sub 3/COO/sup -/). For the acetato derivatives a dimeric acetato-bridged structure is suggested. Some properties of UO/sub 2/(NO/sub 3/)/sub 2/.2(HMPA) are also described. With the latter ligand, in addition to the complexes UO/sub 2/(NO/sub 3/)/sub 2/.2urea and (UO/sub 2/(urea)/sub 4/(H/sub 2/0))(NO/sub 3/)/sub 2/ already known, the novel complexes UO/sub 2/(pycrate)/sub 2/.4urea and (UO/sub 2/(CH/sub 3/COO)/sub 2/.urea)sub(n) (where n is probably 2) have been prepared. All attempts to obtain urea complexes of uranyl diethyldithio- or diethyldiselenocarbamate failed and only adducts of unsatisfactory stoichiometry were isolated.

Global epidemiology of capsular group W meningococcal disease (1970-2015): Multifocal emergence and persistence of hypervirulent sequence type (ST)-11 clonal complex.

Science.gov (United States)

Mustapha, Mustapha M; Marsh, Jane W; Harrison, Lee H

2016-03-18

Following an outbreak in Mecca Saudi Arabia in 2000, meningococcal strains expressing capsular group W (W) emerged as a major cause of invasive meningococcal disease (IMD) worldwide. The Saudi Arabian outbreak strain (Hajj clone) belonging to the ST-11 clonal complex (cc11) is similar to W cc11 causing occasional sporadic disease before 2000. Since 2000, W cc11 has caused large meningococcal disease epidemics in the African meningitis belt and endemic disease in South America, Europe and China. Traditional molecular epidemiologic typing suggested that a majority of current W cc11 burden represented global spread of the Hajj clone. However, recent whole genome sequencing (WGS) analyses revealed significant genetic heterogeneity among global W cc11 strains. While continued spread of the Hajj clone occurs in the Middle East, the meningitis belt and South Africa have co-circulation of the Hajj clone and other unrelated W cc11 strains. Notably, South America, the UK, and France share a genetically distinct W cc11 strain. Other W lineages persist in low numbers in Europe, North America and the meningitis belt. In summary, WGS is helping to unravel the complex genomic epidemiology of group W meningococcal strains. Wider application of WGS and strengthening of global IMD surveillance is necessary to monitor the continued evolution of group W lineages. Copyright © 2016 Elsevier Ltd. All rights reserved.

Group 4 Transition-Metal Complexes of an Aniline–Carbene–Phenol Ligand

KAUST Repository

Despagnet-Ayoub, Emmanuelle

2013-05-24

Attempts to install a tridentate aniline-NHC-phenol (NCO) ligand on titanium and zirconium led instead to complexes resulting from unexpected rearrangement pathways that illustrate common behavior in carbene-early- transition-metal chemistry. © 2013 American Chemical Society.

Influence of humic acids on the migration behavior of radioactive and non-radioactive substances under conditions close to nature. Synthesis, radiometric determination of functional groups, complexation

International Nuclear Information System (INIS)

Pompe, S.; Bubner, M.; Schmeide, K.; Heise, K.H.; Bernhard, G.; Nitsche, H.

2000-04-01

The interaction behavior of humic acids with uranium(VI) and the influence of humic substances on the migration behavior of uranium was investigated. A main focus of this work was the synthesis of four different humic acid model substances and their characterization and comparison to the natural humic acid from Aldrich. A radiometric method for the determination of humic acid functional groups was applied in addition to conventional methods for the determination of the functionality of humic acids. The humic acid model substances show functional and structural properties comparable to natural humic acids. Modified humic acids with blocked phenolic OH were synthesized to determine the influence of phenolic OH groups on the complexation behavior of humic acids. A synthesis method for 14 C-labeled humic acids with high specific activity was developed. The complexation behavior of synthetic and natural humic acids with uranium(VI) was investigated by X-ray absorption spectroscopy, laser-induced fluorescence spectroscopy and FTIR spectroscopy. The synthetic model substances show an interaction behavior with uranium(VI) that is comparable to natural humic acids. This points to the fact that the synthetic humic acids simulate the functionality of their natural analogues very well. For the first time the influence of phenolic OH groups on the complexation behavior of humic acids was investigated by applying a modified humic acid with blocked phenolic OH groups. The formation of a uranyl hydroxy humate complex was identified by laserspectroscopic investigations of the complexation of Aldrich humic acid with uranium(VI) at pH7. The migration behavior of uranium in a sandy aquifer system rich in humic substances was investigated in column experiments. A part of uranium migrates non-retarded through the sediment, bound to humic colloids. The uranium migration behavior is strongly influenced by the kinetically controlled interaction processes of uranium with the humic colloids

Automated technological equipment-robot complexes

International Nuclear Information System (INIS)

Zhitomirskii, S.V.; Samorodskikh, B.L.

1984-01-01

This paper surveys the types of automated technological equipment robot complexes. The principal elements of such complexes are described. Complexes are divided into two principal groups: those using simultaneously acting robots, and those using successively acting robots. The great variety of types of robots using successive action is then described

Aryl-NHC-group 13 trimethyl complexes: structural, stability and bonding insights

KAUST Repository

Wu, Melissa M.; Gill, Arran M.; Yunpeng, Lu; Yongxin, Li; Ganguly, Rakesh; Falivene, Laura; Garcí a, Felipe

2016-01-01

Treatment of aromatic N-substituted N-heterocyclic carbenes (NHCs) with trimethyl-gallium and -indium yielded the new Lewis acid-base adducts, IMes·GaMe3 (1), SIMes·GaMe3 (2), IPr·GaMe3 (3), SIPr·GaMe3 (4), IMes·InMe3 (5), SIMes·InMe3 (6), IPr·InMe3 (7), and SIPr·InMe3 (8), with all complexes being identified by X-ray diffraction, IR, and multinuclear NMR analyses. Complex stability was found to be largely dependent on the nature of the constituent NHC ligands. Percent buried volume (%VBur) and topographic steric map analyses were employed to quantify and elucidate the observed trends. Additionally, a detailed bond snapping energy (BSE) decomposition analysis focusing on both steric and orbital interactions of the M-NHC bond (M = Al, Ga and In) has been performed.

Aryl-NHC-group 13 trimethyl complexes: structural, stability and bonding insights

KAUST Repository

Wu, Melissa M.

2016-12-14

Treatment of aromatic N-substituted N-heterocyclic carbenes (NHCs) with trimethyl-gallium and -indium yielded the new Lewis acid-base adducts, IMes·GaMe3 (1), SIMes·GaMe3 (2), IPr·GaMe3 (3), SIPr·GaMe3 (4), IMes·InMe3 (5), SIMes·InMe3 (6), IPr·InMe3 (7), and SIPr·InMe3 (8), with all complexes being identified by X-ray diffraction, IR, and multinuclear NMR analyses. Complex stability was found to be largely dependent on the nature of the constituent NHC ligands. Percent buried volume (%VBur) and topographic steric map analyses were employed to quantify and elucidate the observed trends. Additionally, a detailed bond snapping energy (BSE) decomposition analysis focusing on both steric and orbital interactions of the M-NHC bond (M = Al, Ga and In) has been performed.

Social dilemmas and individual/group coordination strategies in a complex rural land-use game

Directory of Open Access Journals (Sweden)

Luis García-Barrios

2011-09-01

Full Text Available Strengthening ongoing bottom-up capacity building processes for local and sustainable landscape-level governance is a multi-dimensional social endeavor. One of the tasks involved – participatory rural land use planning – requires more understanding and more awareness among all stakeholders regarding the social dilemmas local people confront when responding to each other’s land-use decisions. In this paper we will analyze and discuss a version of our game SIERRA SPRINGS that is simple to play for any stakeholder that can count to 24, yet entails a complex-coordination land use game – with an extensive and yet finite set of solutions – which can mimic in a stylized form some of the dilemmas landowners could confront in a landscape planning process where there livelihoods are at stake. The game has helped researchers and players observe and reflect on the individual coordination strategies that emerge within a group in response to these stylized dilemmas. This paper (1 develops a game-theoretical approach to cooperation, competition and coordination of land uses in small rural watersheds, (2 describe the goal, rules and mechanics of the game, (3 analyzes the structure of each farms’ solution set vs. the whole watershed’s solution set, (4 derives from them the coordination dilemmas and the risk of coordination failure, (5 describes four individual coordination strategies consistently displayed by players; mapping them in a plane we have called Group-Level Coordination Space, and (6 discusses the strengths, limitations and actual and potential uses of the game both for research and as an introductory tool for stakeholders involved in participatory land use planning.

Chemistry of complexing molecules and environment. Report of the working group of the Cea ''mission environment''

International Nuclear Information System (INIS)

Petit, J.C.

1998-01-01

The Working group 'Chemistry of Complexing Molecules and Environment' of the Mission Environment (AG/ENV) identified themes for an original positioning of CEA on important issues of environmental research if a sufficiently strong demand appears. The research of CEA on the environment should be complementary to actions undertaken by other partners (official institutions, research organizations and industrial firms). The themes suggested are: the synthesis of new chelating molecules and new materials having specific properties, with the support of theoretical chemistry and modeling, analytical physical chemistry and speciation of species in relation to their eco-toxicity and their biogeochemical mobility in the natural environment. These themes, illustrated by examples of actions in progress at CEA or likely to be launched quickly, draw largely from recognized competences of the teams, generally developed for finalized nuclear applications: experimental, theoretical and instrumental competences. (author)

Selective transformations of complex molecules are enabled by aptameric protective groups

NARCIS (Netherlands)

Bastian, Andreas A.; Marcozzi, Alessio; Herrmann, Andreas

2012-01-01

Emerging trends in drug discovery are prompting a renewed interest in natural products as a source of chemical diversity and lead structures. However, owing to the structural complexity of many natural compounds, the synthesis of derivatives is not easily realized. Here, we demonstrate a

Insights into functional-group-tolerant polymerization catalysis with phosphine-sulfonamide palladium (II) complexes

KAUST Repository

Jian, Zhongbao

2014-12-08

Two series of cationic palladium(II) methyl complexes {[(2-MeOC6H4)2PC6H4SO2NHC6H3(2,6-R1,R2)]PdMe}2[A]2 (X1+-A: R1=R2=H: H1+-A; R1=R2=CH(CH3)2: DIPP1+-A; R1=H, R2=CF3: CF31+-A; A=BF4 or SbF6) and neutral palladium(II) methyl complexes {[(2-MeOC6H4)2PC6H4SO2NC6H3(2,6-R1,R2)]PdMe(L)} (X1-acetone: L=acetone; X1-dmso: L=dimethyl sulfoxide; X1-pyr: L=pyridine) chelated by a phosphine-sulfonamide were synthesized and fully characterized. Stoichiometric insertion of methyl acrylate (MA) into all complexes revealed that a 2,1 regiochemistry dominates in the first insertion of MA. Subsequently, for the cationic complexes X1+-A, β-H elimination from the 2,1-insertion product X2+-AMA-2,1 is overwhelmingly favored over a second MA insertion to yield two major products X4+-AMA-1,2 and X5+-AMA. By contrast, for the weakly coordinated neutral complexes X1-acetone and X1-dmso, a second MA insertion of the 2,1-insertion product X2MA-2,1 is faster than β-H elimination and gives X3MA as major products. For the strongly coordinated neutral complexes X1-pyr, no second MA insertion and no β-H elimination (except for DIPP2-pyrMA-2,1) were observed for the 2,1-insertion product X2-pyrMA-2,1. The cationic complexes X1+-A exhibited high catalytic activities for ethylene dimerization, affording butenes (C4) with a high selectivity of up to 97.7% (1-butene: 99.3%). Differences in activities and selectivities suggest that the phosphine-sulfonamide ligands remain coordinated to the metal center in a bidentate fashion in the catalytically active species. By comparison, the neutral complexes X1-acetone, X1-dmso, and X1-pyr showed very low activity towards ethylene to give traces of oligomers. DFT analyses taking into account the two possible coordination modes (O or N) of the sulfonamide ligand for the cationic system CF31+ suggested that the experimentally observed high activity in ethylene dimerization is the result of a facile first ethylene insertion into the O-coordinated PdMe isomer and

The influence of carboxilate, phosphinate and seleninate groups on luminescent properties of lanthanides complexes

International Nuclear Information System (INIS)

Monteiro, Jorge H.S.K.; Formiga, André L.B.; Sigoli, Fernando A.

2014-01-01

The lanthanides(III) complexes [Ln(bza) 3 (H 2 O) n ]·mH 2 O, [Ln(ppa) 3 (H 2 O) n ]·mH 2 O and [Ln(abse) 3 (H 2 O) n ]·mH 2 O where Ln=Eu 3+ , Gd 3+ or Tb 3+ were synthesized using sodium benzoate (Nabza), sodium phenylseleninate (Naabse) and sodium phenylphosphinate (Nappa) in order to verify the influence on coordination modes and the luminescence parameters when the carbon is exchanged by phosphorus or selenium in those ligands. The complexes' stoichiometries were determined by lanthanide(III) titration, microanalysis and TGA. The coordination modes were determined as bidentate bridging and chelate by the FT-IR. The triplet state energies of the ligands were obtained by two different approaches giving a difference of about ∼2000 cm −1 between them. The [Eu(abse) 3 (H 2 O)] complex shows the higher degree of covalence which was verified by the centroid of 5 D 0 → 7 F 0 transition (17,248 cm −1 ). On the other hand the [Ln(abse) 3 (H 2 O) n ]·mH 2 O complexes have an inefficient antenna effect verified by the low values of absolute emission quantum yields. The [Ln(ppa) 3 (H 2 O) n ]·mH 2 O complexes have higher emission decay lifetime values among the complexes which is a result of the ability of this ligand to form coordination polymers avoiding water molecules in the first coordination sphere. The [Eu(ppa) 3 ] complex has the highest point symmetry around europium(III) among the synthesized complexes, followed by the [Eu(bza) 3 (H 2 O) 2 ]·3/2(H 2 O) and [Eu(abse) 3 (H 2 O)] complexes where europium(III) show similar point symmetries. As one may expect, the triplet state energy position would change the transfer and/or back energy transfer rates from ligand to metal. The calculation of these rates show that the back energy transfer rates are more affected than the transfer ones by changing the triplet state energy in the range of ∼2000 cm −1 . The changes in the energy transfer rates from triplet state to europium(III) levels are not

Insights into functional-group-tolerant polymerization catalysis with phosphine-sulfonamide palladium(II) complexes.

Science.gov (United States)

Jian, Zhongbao; Falivene, Laura; Wucher, Philipp; Roesle, Philipp; Caporaso, Lucia; Cavallo, Luigi; Göttker-Schnetmann, Inigo; Mecking, Stefan

2015-01-26

Two series of cationic palladium(II) methyl complexes {[(2-MeOC6 H4 )2 PC6 H4 SO2 NHC6 H3 (2,6-R(1) ,R(2) )]PdMe}2 [A]2 ((X) 1(+) -A: R(1) =R(2) =H: (H) 1(+) -A; R(1) =R(2) =CH(CH3 )2 : (DIPP) 1(+) -A; R(1) =H, R(2) =CF3 : (CF3) 1(+) -A; A=BF4 or SbF6 ) and neutral palladium(II) methyl complexes {[(2-MeOC6 H4 )2 PC6 H4 SO2 NC6 H3 (2,6-R(1) ,R(2) )]PdMe(L)} ((X) 1-acetone: L=acetone; (X) 1-dmso: L=dimethyl sulfoxide; (X) 1-pyr: L=pyridine) chelated by a phosphine-sulfonamide were synthesized and fully characterized. Stoichiometric insertion of methyl acrylate (MA) into all complexes revealed that a 2,1 regiochemistry dominates in the first insertion of MA. Subsequently, for the cationic complexes (X) 1(+) -A, β-H elimination from the 2,1-insertion product (X) 2(+) -AMA-2,1 is overwhelmingly favored over a second MA insertion to yield two major products (X) 4(+) -AMA-1,2 and (X) 5(+) -AMA . By contrast, for the weakly coordinated neutral complexes (X) 1-acetone and (X) 1-dmso, a second MA insertion of the 2,1-insertion product (X) 2MA-2,1 is faster than β-H elimination and gives (X) 3MA as major products. For the strongly coordinated neutral complexes (X) 1-pyr, no second MA insertion and no β-H elimination (except for (DIPP) 2-pyrMA-2,1 ) were observed for the 2,1-insertion product (X) 2-pyrMA-2,1 . The cationic complexes (X) 1(+) -A exhibited high catalytic activities for ethylene dimerization, affording butenes (C4 ) with a high selectivity of up to 97.7 % (1-butene: 99.3 %). Differences in activities and selectivities suggest that the phosphine-sulfonamide ligands remain coordinated to the metal center in a bidentate fashion in the catalytically active species. By comparison, the neutral complexes (X) 1-acetone, (X) 1-dmso, and (X) 1-pyr showed very low activity towards ethylene to give traces of oligomers. DFT analyses taking into account the two possible coordination modes (O or N) of the sulfonamide ligand for the cationic system (CF3) 1(+) suggested

Investigation of uranyl nitrate complexes with trialkylphosphine oxides

International Nuclear Information System (INIS)

Kobets, L.V.; Kopashova, I.M.; Dik, T.A.; Volodin, I.A.; Kovalenko, M.A.; Semenij, V.Ya.

1982-01-01

Using the methods of vibrational spectroscopy and thermal analysis a number of uranyl complexes with trialkylphosphine oxides of the general formula UO 2 (NO 3 ) 2 x2R 3 PO, where R-C 2 H 5 -C 10 H 21 have been studied. Infrared and Raman spectra are interpreted according to vibration types. Comparison of vibrational spectra of the complexes in solid phase and solutions of organic solvents permitted to find the differences in position and amount of acids responsible for complexing. It is detected that in the series of complexes investigated the strength of uranyl bond with phosphoryl group oxygen practically remains stable, whereas degree of covalence of nitrate groups is observed. The pointed out peculiarities are interpreted proceeding from the presence of bridge nitrate groups in the structure of the complexes. Thermal stability of the complexes is studied, chemism of their decomposition being suggested

Synthesis and Catalytic Activity of [Cp′Co(COD)] Complexes Bearing Pendant N-Containing Groups

Czech Academy of Sciences Publication Activity Database

Thiel, I.; Lamač, Martin; Jiao, H.; Spannenberg, A.; Hapke, M.

2013-01-01

Roč. 32, č. 11 (2013), s. 3415-3418 ISSN 0276-7333 R&D Projects: GA ČR GPP207/10/P200 Institutional support: RVO:61388955 Keywords : FUNCTIONALIZED CYCLOPENTADIENYL LIGANDS * SANDWICH COBALT COMPLEXES * METALLOCENE COMPLEXES Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.253, year: 2013

The complex portal--an encyclopaedia of macromolecular complexes.

Science.gov (United States)

Meldal, Birgit H M; Forner-Martinez, Oscar; Costanzo, Maria C; Dana, Jose; Demeter, Janos; Dumousseau, Marine; Dwight, Selina S; Gaulton, Anna; Licata, Luana; Melidoni, Anna N; Ricard-Blum, Sylvie; Roechert, Bernd; Skyzypek, Marek S; Tiwari, Manu; Velankar, Sameer; Wong, Edith D; Hermjakob, Henning; Orchard, Sandra

2015-01-01

The IntAct molecular interaction database has created a new, free, open-source, manually curated resource, the Complex Portal (www.ebi.ac.uk/intact/complex), through which protein complexes from major model organisms are being collated and made available for search, viewing and download. It has been built in close collaboration with other bioinformatics services and populated with data from ChEMBL, MatrixDB, PDBe, Reactome and UniProtKB. Each entry contains information about the participating molecules (including small molecules and nucleic acids), their stoichiometry, topology and structural assembly. Complexes are annotated with details about their function, properties and complex-specific Gene Ontology (GO) terms. Consistent nomenclature is used throughout the resource with systematic names, recommended names and a list of synonyms all provided. The use of the Evidence Code Ontology allows us to indicate for which entries direct experimental evidence is available or if the complex has been inferred based on homology or orthology. The data are searchable using standard identifiers, such as UniProt, ChEBI and GO IDs, protein, gene and complex names or synonyms. This reference resource will be maintained and grow to encompass an increasing number of organisms. Input from groups and individuals with specific areas of expertise is welcome. © The Author(s) 2014. Published by Oxford University Press on behalf of Nucleic Acids Research.

Considerations on the hyperbolic complex Klein-Gordon equation

International Nuclear Information System (INIS)

Ulrych, S.

2010-01-01

This article summarizes and consolidates investigations on hyperbolic complex numbers with respect to the Klein-Gordon equation for fermions and bosons. The hyperbolic complex numbers are applied in the sense that complex extensions of groups and algebras are performed not with the complex unit, but with the product of complex and hyperbolic unit. The modified complexification is the key ingredient for the theory. The Klein-Gordon equation is represented in this framework in the form of the first invariant of the Poincare group, the mass operator, in order to emphasize its geometric origin. The possibility of new interactions arising from hyperbolic complex gauge transformations is discussed.

Simple inorganic complexes but intricate hydrogen bonding ...

Indian Academy of Sciences (India)

Administrator

We are interested in obtaining single crystals of metal-opda complexes because their crystal structures would show complex hydrogen bonding network due to the presence of. –NH2 groups in the opda ligand (hydrogen bonding donor sites) and inorganic anions having mostly oxo groups (hydrogen bonding acceptor sites) ...

Detection of Mycobacterium chelonae, Mycobacterium abscessus Group, and Mycobacterium fortuitum Complex by a Multiplex Real-Time PCR Directly from Clinical Samples Using the BD MAX System.

Science.gov (United States)

Rocchetti, Talita T; Silbert, Suzane; Gostnell, Alicia; Kubasek, Carly; Campos Pignatari, Antonio C; Widen, Raymond

2017-03-01

A new multiplex PCR test was designed to detect Mycobacterium chelonae, Mycobacterium abscessus group, and Mycobacterium fortuitum complex on the BD MAX System. A total of 197 clinical samples previously submitted for mycobacterial culture were tested using the new protocol. Samples were first treated with proteinase K, and then each sample was inoculated into the BD MAX Sample Buffer Tube. Extraction and multiplex PCR were performed by the BD MAX System, using the BD MAX ExK TNA-3 extraction kit and BD TNA Master Mix, along with specific in-house designed primers and probes for each target. The limit of detection of each target, as well as specificity, was evaluated. Of 197 clinical samples included in this study, 133 were positive and 60 were negative for mycobacteria by culture, and another 4 negative samples were spiked with M. chelonae ATCC 35752. The new multiplex PCR on the BD MAX had 97% concordant results with culture for M. abscessus group detection, 99% for M. chelonae, and 100% for M. fortuitum complex. The new multiplex PCR test performed on the BD MAX System proved to be a sensitive and specific test to detect M. chelonae, M. abscessus group, and M. fortuitum complex by real-time PCR on an automated sample-in results-out platform. Copyright © 2017 American Society for Investigative Pathology and the Association for Molecular Pathology. Published by Elsevier Inc. All rights reserved.

Synthesis, X-ray crystal structures, and phosphate ester cleavage properties of bis(2-pyridylmethyl)amine copper(II) complexes with guanidinium pendant groups.

Science.gov (United States)

Belousoff, Matthew J; Tjioe, Linda; Graham, Bim; Spiccia, Leone

2008-10-06

Three new derivatives of bis(2-pyridylmethyl)amine (DPA) featuring ethylguanidinium (L (1)), propylguanidinium (L (2)), or butylguanidinium (L (3)) pendant groups have been prepared by the reaction of N, N- bis(2-pyridylmethyl)alkane-alpha,omega-diamines with 1 H-pyrazole-1-carboxamidine hydrochloride. The corresponding mononuclear copper(II) complexes were prepared by reacting the ligands with copper(II) nitrate and were isolated as [Cu(LH (+))(OH 2)](ClO 4) 3. xNaClO 4. yH 2O ( C1: L = L (1), x = 2, y = 3; C2: L = L (2), x = 2, y = 4; C3: L = L (3), x = 1, y = 0) following cation exchange purification. Recrystallization yielded crystals of composition [Cu(LH (+))(X)](ClO 4) 3.X ( C1': L = L (1), X = MeOH; C2': L = L (2), X = H 2O; C3': L = L (3), X = H 2O), which were suitable for X-ray crystallography. The crystal structures of C1', C2', and C3' indicate that the DPA moieties of the ligands coordinate to the copper(II) centers in a meridional fashion, with a water or methanol molecule occupying the fourth basal position. Weakly bound perchlorate anions located in the axial positions complete the distorted octahedral coordination spheres. The noncoordinating, monoprotonated guanidinium groups project away from the Cu(II)-DPA units and are involved in extensive charge-assisted hydrogen-bonding interactions with cocrystallized water/methanol molecules and perchlorate anions within the crystal lattices. The copper(II) complexes were tested for their ability to promote the cleavage of two model phosphodiesters, bis( p-nitrophenyl)phosphate (BNPP) and uridine-3'- p-nitrophenylphosphate (UpNP), as well as supercoiled plasmid DNA (pBR 322). While the presence of the guanidine pendants was found to be detrimental to BNPP cleavage efficiency, the functionalized complexes were found to cleave plasmid DNA and, in some cases, the model ribose phosphate diester, UpNP, at a faster rate than the parent copper(II) complex of DPA.

Enzyme-polyelectrolyte complexes in water-ethanol mixtures: negatively charged groups artificially introduced into alpha-chymotrypsin provide additional activation and stabilization effects.

Science.gov (United States)

Kudryashova, E V; Gladilin, A K; Vakurov, A V; Heitz, F; Levashov, A V; Mozhaev, V V

1997-07-20

Formation of noncovalent complexes between alpha-chymotrypsin (CT) and a polyelectrolyte, polybrene (PB), has been shown to produce two major effects on enzymatic reactions in binary mixtures of polar organic cosolvents with water. (i) At moderate concentrations of organic cosolvents (10% to 30% v/v), enzymatic activity of CT is higher than in aqueous solutions, and this activation effect is more significant for CT in complex with PB (5- to 7-fold) than for free enzyme (1.5- to 2.5-fold). (ii) The range of cosolvent concentrations that the enzyme tolerates without complete loss of catalytic activity is much broader. For enhancement of enzyme stability in the complex with the polycation, the number of negatively charged groups in the protein has been artificially increased by using chemical modification with pyromellitic and succinic anhydrides. Additional activation effect at moderate concentrations of ethanol and enhanced resistance of the enzyme toward inactivation at high concentrations of the organic solvent have been observed for the modified preparations of CT in the complex with PB as compared with an analogous complex of the native enzyme. Structural changes behind alterations in enzyme activity in water-ethanol mixtures have been studied by the method of circular dichroism (CD). Protein conformation of all CT preparations has not changed significantly up to 30% v/v of ethanol where activation effects in enzymatic catalysis were most pronounced. At higher concentrations of ethanol, structural changes in the protein have been observed for different forms of CT that were well correlated with a decrease in enzymatic activity. (c) 1997 John Wiley & Sons, Inc. Biotechnol Bioeng 55: 267-277, 1997.

Insights into functional-group-tolerant polymerization catalysis with phosphine-sulfonamide palladium (II) complexes

KAUST Repository

Jian, Zhongbao; Falivene, Laura; Wucher, Philipp; Roesle, Philipp; Caporaso, Lucia; Cavallo, Luigi; Gç ttker-Schnetmann, Inigo; Mecking, Stefan

2014-01-01

Two series of cationic palladium(II) methyl complexes {[(2-MeOC6H4)2PC6H4SO2NHC6H3(2,6-R1,R2)]PdMe}2[A]2 (X1+-A: R1=R2=H: H1+-A; R1=R2=CH(CH3)2: DIPP1+-A; R1=H, R2=CF3: CF31+-A; A=BF4 or SbF6) and neutral palladium(II) methyl complexes {[(2-MeOC6H4

Relating Complexity and Error Rates of Ontology Concepts. More Complex NCIt Concepts Have More Errors.

Science.gov (United States)

Min, Hua; Zheng, Ling; Perl, Yehoshua; Halper, Michael; De Coronado, Sherri; Ochs, Christopher

2017-05-18

Ontologies are knowledge structures that lend support to many health-information systems. A study is carried out to assess the quality of ontological concepts based on a measure of their complexity. The results show a relation between complexity of concepts and error rates of concepts. A measure of lateral complexity defined as the number of exhibited role types is used to distinguish between more complex and simpler concepts. Using a framework called an area taxonomy, a kind of abstraction network that summarizes the structural organization of an ontology, concepts are divided into two groups along these lines. Various concepts from each group are then subjected to a two-phase QA analysis to uncover and verify errors and inconsistencies in their modeling. A hierarchy of the National Cancer Institute thesaurus (NCIt) is used as our test-bed. A hypothesis pertaining to the expected error rates of the complex and simple concepts is tested. Our study was done on the NCIt's Biological Process hierarchy. Various errors, including missing roles, incorrect role targets, and incorrectly assigned roles, were discovered and verified in the two phases of our QA analysis. The overall findings confirmed our hypothesis by showing a statistically significant difference between the amounts of errors exhibited by more laterally complex concepts vis-à-vis simpler concepts. QA is an essential part of any ontology's maintenance regimen. In this paper, we reported on the results of a QA study targeting two groups of ontology concepts distinguished by their level of complexity, defined in terms of the number of exhibited role types. The study was carried out on a major component of an important ontology, the NCIt. The findings suggest that more complex concepts tend to have a higher error rate than simpler concepts. These findings can be utilized to guide ongoing efforts in ontology QA.

The operative management of children with complex perianal Crohn's disease.

Science.gov (United States)

Seemann, Natashia M; King, Sebastian K; Elkadri, Abdul; Walters, Thomas; Fish, Joel; Langer, Jacob C

2016-12-01

Perianal Crohn's disease (PCD) can affect both quality of life and psychological wellbeing. A subset of pediatric patients with complex PCD require surgical intervention, although appropriate timing and treatment regimens remain unclear. This study aimed to describe a large pediatric cohort in a tertiary center to determine the range of surgical management in children with complex PCD. A retrospective review of children requiring operative intervention for PCD over 13 years (2002-2014) was performed. PCD was divided into simple and complex based on the type of surgical procedure, and the two groups were compared. The 57 children were divided into two groups: the simple group (N=43) underwent abscess drainage ± seton insertion alone, and the complex group (N=14) underwent loop ileostomy ± more extensive surgery. In the complex group, females were more predominant (57% of complex vs 30% of simple), and the average age at diagnosis was lower. Anti-TNF therapy was utilized in 79.1% of simple and 100% of complex PCD. All 14 complex patients underwent a defunctioning ileostomy, with 7 requiring further operations (subtotal colectomy=4, proctocolectomy ± anal sparing=5, plastic surgery reconstruction with perineal flap/graft=4). Complex PCD represents a small but challenging subset of patients in which major surgical intervention may be necessary to alleviate the symptoms of this debilitating condition. retrospective case study with no control group - level IV. Copyright © 2016 Elsevier Inc. All rights reserved.

Clinical utility of seropositive voltage-gated potassium channel-complex antibody.

Science.gov (United States)

Jammoul, Adham; Shayya, Luay; Mente, Karin; Li, Jianbo; Rae-Grant, Alexander; Li, Yuebing

2016-10-01

Antibodies against voltage-gated potassium channel (VGKC)-complex are implicated in the pathogenesis of acquired neuromyotonia, limbic encephalitis, faciobrachial dystonic seizure, and Morvan syndrome. Outside these entities, the clinical value of VGKC-complex antibodies remains unclear. We conducted a single-center review of patients positive for VGKC-complex antibodies over an 8-year period. Among 114 patients positive for VGKC-complex antibody, 11 (9.6%) carrying the diagnosis of limbic encephalitis (n = 9) or neuromyotonia (n = 2) constituted the classic group, and the remaining 103 cases of various neurologic and non-neurologic disorders comprised the nonclassic group. The median titer for the classic group was higher than the nonclassic group ( p 0.25 nM) VGKC-complex antibody levels ( p VGKC-complex antibody titers are more likely found in patients with classically associated syndromes and other autoimmune conditions. Low-level VGKC-complex antibodies can be detected in nonspecific and mostly nonautoimmune disorders. The presence of VGKC-complex antibody, rather than its level, may serve as a marker of malignancy.

Clinical utility of seropositive voltage-gated potassium channel–complex antibody

Science.gov (United States)

Jammoul, Adham; Shayya, Luay; Mente, Karin; Li, Jianbo; Rae-Grant, Alexander

2016-01-01

Abstract Background: Antibodies against voltage-gated potassium channel (VGKC)–complex are implicated in the pathogenesis of acquired neuromyotonia, limbic encephalitis, faciobrachial dystonic seizure, and Morvan syndrome. Outside these entities, the clinical value of VGKC-complex antibodies remains unclear. Methods: We conducted a single-center review of patients positive for VGKC-complex antibodies over an 8-year period. Results: Among 114 patients positive for VGKC-complex antibody, 11 (9.6%) carrying the diagnosis of limbic encephalitis (n = 9) or neuromyotonia (n = 2) constituted the classic group, and the remaining 103 cases of various neurologic and non-neurologic disorders comprised the nonclassic group. The median titer for the classic group was higher than the nonclassic group (p 0.25 nM) VGKC-complex antibody levels (p VGKC-complex antibody titers are more likely found in patients with classically associated syndromes and other autoimmune conditions. Low-level VGKC-complex antibodies can be detected in nonspecific and mostly nonautoimmune disorders. The presence of VGKC-complex antibody, rather than its level, may serve as a marker of malignancy. PMID:27847683

Synthesis and magnetic Properties of dinuclear oxovanadium(IV) complexes bridged by tetracarboxylato groups

International Nuclear Information System (INIS)

Li, Y.-T.; Guan, H.-S.; Yan, C.-W.

2004-01-01

Three novel μ-tetracarboxylato-bridged oxovanadium(IV) complexes described by the overall formula [(VO) 2 (PMTA)L 2 ] where PMTA stands for the tetraanion of pyromellitic acid, and L denotes 2,2'-bipyridine(bpy), 4,4'-dimethyl-2,2'-bipyridine (Me 2 bpy) or 1,10-phenanthroline (phen), respectively, have been synthesized and characterized by elemental analyses, molar conductivity and room-temperature magnetic moment measurements, IR, ESR, and electronic spectral studies. It is proposed that these complexes have PMTA-bridged structures and consist of two oxovanadium(IV) ions, each in the square-pyramidal environment. The [(VO) 2 (PMTA)(bpy) 2 ] (1) and [(VO) 2 (PMTA)(phen) 2 ] (2) complexes were further characterized by variable temperature (4.2 - 300 K) magnetic susceptibility measurements and the observed data were fitted to the modified Bleaney-Bowers equation by the least-squares, giving the exchange integral J = -2.75 cm -1 for (1) and J -3.91 cm -1 for (2). This results indicates that there is a weak antiferromagnetic spin-exchange interaction between the two VO 2+ ions within each molecule. (author)

Complexes and aggregates of chlorophylls

NARCIS (Netherlands)

Kooyman, R.P.H.

1980-01-01

Chlorophyll (Chl) molecules can form complexes in two important ways: by ligation at the magnesium atom and/or by hydrogen bonding at the keto- carbonyl group. Under certain conditions these processes may give rise to dimer formation. This thesis describes some properties of complexes and dimers of

Uranyl complexes of glutathione

Energy Technology Data Exchange (ETDEWEB)

Marzotto, A [Consiglio Nazionale delle Ricerche, Padua (Italy). Lab. di Chimica e Tecnologia dei Radioelementi

1977-01-01

Dioxouranium(VI) complexes of the tripeptide glutathione having different molar ratios were prepared and studied by IR, PMR, electronic absorption and circular dichroism spectra. The results indicate that coordination occurs at the carboxylato groups, acting as monodentate ligands, whereas no significant interaction with the amino and sulfhydrylic groups takes place.

The effects of familiarity and complexity on appraisal of complex songs by cochlear implant recipients and normal hearing adults.

Science.gov (United States)

Gfeller, Kate; Christ, Aaron; Knutson, John; Witt, Shelley; Mehr, Maureen

2003-01-01

The purposes of this study were (a) to develop a test of complex song appraisal that would be suitable for use with adults who use a cochlear implant (assistive hearing device) and (b) to compare the appraisal ratings (liking) of complex songs by adults who use cochlear implants (n = 66) with a comparison group of adults with normal hearing (n = 36). The article describes the development of a computerized test for appraisal, with emphasis on its theoretical basis and the process for item selection of naturalistic stimuli. The appraisal test was administered to the 2 groups to determine the effects of prior song familiarity and subjective complexity on complex song appraisal. Comparison of the 2 groups indicates that the implant users rate 2 of 3 musical genres (country western, pop) as significantly more complex than do normal hearing adults, and give significantly less positive ratings to classical music than do normal hearing adults. Appraisal responses of implant recipients were examined in relation to hearing history, age, performance on speech perception and cognitive tests, and musical background.

Intrinsic gas-phase reactivity toward methanol of trinuclear tungsten W(3)S(4) complexes bearing W-X (X = Br, OH) groups.

Science.gov (United States)

Vicent, Cristian; Feliz, Marta; Llusar, Rosa

2008-12-11

Electrospray ionization (ESI) tandem mass spectrometry is used to investigate the gas-phase dissociation of trinuclear sulfide W(3)S(4) complexes containing three diphosphane ligands and three terminal bromine atoms, namely, [W(3)S(4)(dmpe)(3)(Br)(3)](+) (1(+)) or hydroxo groups, [W(3)S(4)(dmpe)(3)(OH)(3)](+) (2(+)) (dmpe = 1,2-bis(dimethylphosphanyl)ethane). Sequential evaporation of two diphosphane ligands is the sole fragmentation channel for the 1(+) cation that yields product ions with one or two unsaturated W-Br functional groups, respectively. Conversely, evaporation of one diphosphane ligand followed by two water molecules is observed for cation 2(+). Complementary deuterium-labeling experiments in conjunction with computational studies provide deep insight into the thermodynamically favored product ion structures found along the fragmentation pathways. From these results, the formation of a series of cluster cations with WBr, WOH, and WO functional groups either on saturated or unsaturated metal sites is proposed. The effect of the properties of these cluster cations, among them chemical composition and coordinative saturation, on their reactivity toward methanol is discussed.

Introduction to Sporadic Groups

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Luis J. Boya

2011-01-01

Full Text Available This is an introduction to finite simple groups, in particular sporadic groups, intended for physicists. After a short review of group theory, we enumerate the 1+1+16=18 families of finite simple groups, as an introduction to the sporadic groups. These are described next, in three levels of increasing complexity, plus the six isolated ''pariah'' groups. The (old five Mathieu groups make up the first, smallest order level. The seven groups related to the Leech lattice, including the three Conway groups, constitute the second level. The third and highest level contains the Monster group M, plus seven other related groups. Next a brief mention is made of the remaining six pariah groups, thus completing the 5+7+8+6=26 sporadic groups. The review ends up with a brief discussion of a few of physical applications of finite groups in physics, including a couple of recent examples which use sporadic groups.

Group-analytic epistemology and the articulation of group-treatment setting in a Department of Mental Health

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Nicoletta Della Torre

2014-09-01

Full Text Available This paper addresses the issue of multi-level projects of care to mental disorders patients in the context of the Mental Health Centre, proposing an epistemological point of view on groups inspired to the epistemology of complexity.Keywords: Multi-level projects of care; Mental Health Centre; Epistemology of Complexity

Groups - Modular Mathematics Series

CERN Document Server

Jordan, David

1994-01-01

This text provides an introduction to group theory with an emphasis on clear examples. The authors present groups as naturally occurring structures arising from symmetry in geometrical figures and other mathematical objects. Written in a 'user-friendly' style, where new ideas are always motivated before being fully introduced, the text will help readers to gain confidence and skill in handling group theory notation before progressing on to applying it in complex situations. An ideal companion to any first or second year course on the topic.

Assessing species boundaries using multilocus species delimitation in a morphologically conserved group of neotropical freshwater fishes, the Poecilia sphenops species complex (Poeciliidae.

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Justin C Bagley

Full Text Available Accurately delimiting species is fundamentally important for understanding species diversity and distributions and devising effective strategies to conserve biodiversity. However, species delimitation is problematic in many taxa, including 'non-adaptive radiations' containing morphologically cryptic lineages. Fortunately, coalescent-based species delimitation methods hold promise for objectively estimating species limits in such radiations, using multilocus genetic data. Using coalescent-based approaches, we delimit species and infer evolutionary relationships in a morphologically conserved group of Central American freshwater fishes, the Poecilia sphenops species complex. Phylogenetic analyses of multiple genetic markers (sequences of two mitochondrial DNA genes and five nuclear loci from 10/15 species and genetic lineages recognized in the group support the P. sphenops species complex as monophyletic with respect to outgroups, with eight mitochondrial 'major-lineages' diverged by ≥2% pairwise genetic distances. From general mixed Yule-coalescent models, we discovered (conservatively 10 species within our concatenated mitochondrial DNA dataset, 9 of which were strongly supported by subsequent multilocus Bayesian species delimitation and species tree analyses. Results suggested species-level diversity is underestimated or overestimated by at least ~15% in different lineages in the complex. Nonparametric statistics and coalescent simulations indicate genealogical discordance among our gene tree results has mainly derived from interspecific hybridization in the nuclear genome. However, mitochondrial DNA show little evidence for introgression, and our species delimitation results appear robust to effects of this process. Overall, our findings support the utility of combining multiple lines of genetic evidence and broad phylogeographical sampling to discover and validate species using coalescent-based methods. Our study also highlights the

Transcriptional regulation by Polycomb group proteins

DEFF Research Database (Denmark)

Di Croce, Luciano; Helin, Kristian

2013-01-01

Polycomb group (PcG) proteins are epigenetic regulators of transcription that have key roles in stem-cell identity, differentiation and disease. Mechanistically, they function within multiprotein complexes, called Polycomb repressive complexes (PRCs), which modify histones (and other proteins......) and silence target genes. The dynamics of PRC1 and PRC2 components has been the focus of recent research. Here we discuss our current knowledge of the PRC complexes, how they are targeted to chromatin and how the high diversity of the PcG proteins allows these complexes to influence cell identity....

Integration of borehole and seismic data to unravel complex stratigraphy: Case studies from the Mannville Group, Western Canada

Science.gov (United States)

Sarzalejo Silva, Sabrina Ester

Understanding the stratigraphic architecture of geologically complex reservoirs, such as the heavy oil deposits of Western Canada, is essential to achieve an efficient hydrocarbon recovery. Borehole and 3-D seismic data were integrated to define the stratigraphic architecture and generate 3-dimensional geological models of the Mannville Group in Saskatchewan. The Mannville is a stratigraphically complex unit formed of fluvial to marine deposits. Two areas in west-central and southern Saskatchewan were examined in this study. In west-central Saskatchewan, the area corresponds to a stratigraphically controlled heavy oil reservoir with production from the undifferentiated Dina-Cummings Members of the Lower Cretaceous Mannville Group. The southern area, although non-prospective for hydrocarbons, shares many similarities with time-equivalent strata in areas of heavy oil production. Seismic sequence stratigraphic principles together with log signatures permitted the subdivision of the Mannville into different packages. An initial geological model was generated integrating seismic and well-log data Multiattribute analysis and neural networks were used to generate a pseudo-lithology or gamma-ray volume. The incorporation of borehole core data to the model and the subsequent integration with the lithological prediction were crucial to capture the distribution of reservoir and non-reservoir deposits in the study area. The ability to visualize the 3-D seismic data in a variety of ways, including arbitrary lines and stratal or horizon slicing techniques helped the definition of stratigraphic features such as channels and scroll bars that affect fluid flow in hydrocarbon producing areas. Small-scale heterogeneities in the reservoir were not resolved due to the resolution of the seismic data. Although not undertaken in this study, the resulting stratigraphic framework could be used to help construct a static reservoir model. Because of the small size of the 3-D seismic surveys

Sensitization to group direction in the postgraduate training on Group-Analysis

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Simone Bruschetta

2014-09-01

Full Text Available The psychodynamic training group here introduced is a part of the General Training on Group Analysis of the Centre of Palermo of COIRAG Postgraduate School on Analytic Psychotherapy. The training project’s aim, built for the class of the third year, develops a sensitization device which provide a unique set of aquarium. The aim of that methodological artifice is not to engage students on specific group management techniques, but to allow the whole class group to bring into play the complexity of relations, of which is necessary to have awareness in order to lead a group within an institutional context: The main clinical referents that we chose to monitor in this experience are the relationship between conductors and participants and the relationship between group, task and setting. The brief description of this methodology is also including the reporting of two "cases" treated in the course of training. Keywords: Group leadership, Founding dimension, Cultural themes 

D-branes, orbifolds, and Ext groups

International Nuclear Information System (INIS)

Katz, Sheldon; Pantev, Tony; Sharpe, Eric

2003-01-01

In this note we extend previous work on massless Ramond spectra of open strings connecting D-branes wrapped on complex manifolds, to consider D-branes wrapped on smooth complex orbifolds. Using standard methods, we calculate the massless boundary Ramond sector spectra directly in BCFT, and find that the states in the spectrum are counted by Ext groups on quotient stacks (which provide a notion of homological algebra relevant for orbifolds). Subtleties that cropped up in our previous work also appear here. We also use the McKay correspondence to relate Ext groups on quotient stacks to Ext groups on (large radius) resolutions of the quotients. As stacks are not commonly used in the physics community, we include pedagogical discussions of some basic relevant properties of stacks

Student Leadership in Small Group Science Inquiry

Science.gov (United States)

Oliveira, Alandeom W.; Boz, Umit; Broadwell, George A.; Sadler, Troy D.

2014-01-01

Background: Science educators have sought to structure collaborative inquiry learning through the assignment of static group roles. This structural approach to student grouping oversimplifies the complexities of peer collaboration and overlooks the highly dynamic nature of group activity. Purpose: This study addresses this issue of…

ICPP: Approach for Understanding Complexity of Plasma

Science.gov (United States)

Sato, Tetsuya

2000-10-01

In this talk I wish to present an IT system that could promote Science of Complexity. In order to deal with a seemingly `complex' phenomenon, which means `beyond analytical manipulation', computer simulation is a viable powerful tool. However, complexity implies a concept beyond the horizon of reductionism. Therefore, rather than simply solving a complex phenomenon for a given boundary condition, one must establish an intelligent way of attacking mutual evolution of a system and its environment. NIFS-TCSC has been developing a prototype system that consists of supercomputers, virtual reality devices and high-speed network system. Let us explain this by picking up a global atmospheric circulation group, global oceanic circulation group and local weather prediction group. Local weather prediction group predicts the local change of the weather such as the creation of cloud and rain in the near future under the global conditions obtained by the global atmospheric and ocean groups. The global groups run simulations by modifying the local heat source/sink evaluated by the local weather prediction and then obtain the global conditions in the next time step. By repeating such a feedback performance one can predict the mutual evolution of the local system and its environment. Mutual information exchanges among multiple groups are carried out instantaneously by the networked common virtual reality space in which 3-D global and local images of the atmospheric and oceanic circulation and the cloud and rain maps are arbitrarily manipulated by any of the groups and commonly viewed. The present networking system has a great advantage that any simulation groups can freely and arbitrarily change their alignment, so that mutual evolution of any stratum system can become tractable by utilizing this network system.

Klein Topological Field Theories from Group Representations

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Sergey A. Loktev

2011-07-01

Full Text Available We show that any complex (respectively real representation of finite group naturally generates a open-closed (respectively Klein topological field theory over complex numbers. We relate the 1-point correlator for the projective plane in this theory with the Frobenius-Schur indicator on the representation. We relate any complex simple Klein TFT to a real division ring.

Geometric group theory

CERN Document Server

Bestvina, Mladen; Vogtmann, Karen

2014-01-01

Geometric group theory refers to the study of discrete groups using tools from topology, geometry, dynamics and analysis. The field is evolving very rapidly and the present volume provides an introduction to and overview of various topics which have played critical roles in this evolution. The book contains lecture notes from courses given at the Park City Math Institute on Geometric Group Theory. The institute consists of a set of intensive short courses offered by leaders in the field, designed to introduce students to exciting, current research in mathematics. These lectures do not duplicate standard courses available elsewhere. The courses begin at an introductory level suitable for graduate students and lead up to currently active topics of research. The articles in this volume include introductions to CAT(0) cube complexes and groups, to modern small cancellation theory, to isometry groups of general CAT(0) spaces, and a discussion of nilpotent genus in the context of mapping class groups and CAT(0) gro...

First discovery of Quercus-feeding Nepticulidae (Lepidoptera) in South America, with description of new species and designation of the S. nigriverticella complex in the S. saginella group.

Science.gov (United States)

Remeikis, Andrius; Stonis, Jonas R

2015-12-11

We describe three new species: Stigmella crassifoliae Remeikis & Stonis, sp. nov. (a leaf-miner on Quercus crassifolia and Q. crispipilis from the highlands of Guatemala), S. robleae Remeikis & Stonis, sp. nov., and S. humboldti Remeikis & Stonis, sp. nov. (leaf-miners on Quercus humboldtii from the Colombian Andes). No Quercus-feeding Nepticulidae species were previously known from South America. All new species are illustrated with photographs of the leaf-mines, cocoons, adults, and genitalia. In the S. saginella species group, for the species possessing in male genitalia M-shaped gnathos with caudal processes closely juxtaposed and phallus without cornuti, a new species complex (the S. nigriverticella complex) is defined. We also provide a pictorial key to the species of the new complex.

Hyperbolic isometries of systolic complexes

DEFF Research Database (Denmark)

Prytula, Tomasz Pawel

The main topics of this thesis are the geometric features of systolic complexesarising from the actions of hyperbolic isometries. The thesis consists ofan introduction followed by two articles.Given a hyperbolic isometry h of a systolic complex X, our central theme isto study the minimal displace......The main topics of this thesis are the geometric features of systolic complexesarising from the actions of hyperbolic isometries. The thesis consists ofan introduction followed by two articles.Given a hyperbolic isometry h of a systolic complex X, our central theme isto study the minimal...... algebraic-topological features of systolic groups. In addition, we provide newexamples of systolic groups.In the first article we show that the minimal displacement set of a hyperbolicisometry of a systolic complex is quasi-isometric to the product of a tree andthe real line. We use this theorem...

Groups, matrices, and vector spaces a group theoretic approach to linear algebra

CERN Document Server

Carrell, James B

2017-01-01

This unique text provides a geometric approach to group theory and linear algebra, bringing to light the interesting ways in which these subjects interact. Requiring few prerequisites beyond understanding the notion of a proof, the text aims to give students a strong foundation in both geometry and algebra. Starting with preliminaries (relations, elementary combinatorics, and induction), the book then proceeds to the core topics: the elements of the theory of groups and fields (Lagrange's Theorem, cosets, the complex numbers and the prime fields), matrix theory and matrix groups, determinants, vector spaces, linear mappings, eigentheory and diagonalization, Jordan decomposition and normal form, normal matrices, and quadratic forms. The final two chapters consist of a more intensive look at group theory, emphasizing orbit stabilizer methods, and an introduction to linear algebraic groups, which enriches the notion of a matrix group. Applications involving symm etry groups, determinants, linear coding theory ...

Quantum groups: Geometry and applications

International Nuclear Information System (INIS)

Chu, C.S.

1996-01-01

The main theme of this thesis is a study of the geometry of quantum groups and quantum spaces, with the hope that they will be useful for the construction of quantum field theory with quantum group symmetry. The main tool used is the Faddeev-Reshetikhin-Takhtajan description of quantum groups. A few content-rich examples of quantum complex spaces with quantum group symmetry are treated in details. In chapter 1, the author reviews some of the basic concepts and notions for Hopf algebras and other background materials. In chapter 2, he studies the vector fields of quantum groups. A compact realization of these vector fields as pseudodifferential operators acting on the linear quantum spaces is given. In chapter 3, he describes the quantum sphere as a complex quantum manifold by means of a quantum stereographic projection. A covariant calculus is introduced. An interesting property of this calculus is the existence of a one-form realization of the exterior differential operator. The concept of a braided comodule is introduced and a braided algebra of quantum spheres is constructed. In chapter 4, the author considers the more general higher dimensional quantum complex projective spaces and the quantum Grassman manifolds. Differential calculus, integration and braiding can be introduced as in the one dimensional case. Finally, in chapter 5, he studies the framework of quantum principal bundle and construct the q-deformed Dirac monopole as a quantum principal bundle with a quantum sphere as the base and a U(1) with non-commutative calculus as the fiber. The first Chern class can be introduced and integrated to give the monopole charge

Acid-base properties of complexes with three-dimensional polyligands. Complexes with three-dimensional polyphosphoric acids

International Nuclear Information System (INIS)

Kopylova, V.D.; Bojko, Eh.T.; Saldadze, K.M.

1985-01-01

By the method of potentiometric titration acid-base properties of uranyl (2) complexes with three-dimensional polyphosphoric acids, KRF-8p, KF-1, KF-7 prepared by phosphorylation of copolymer of styrene and divinylbenzene or saponification of the copolymers of di-2,2'-chloroethyl ester of vinylphosphonic acid with divinyl benzene are studied. It is shown that in case of formation in the phase of three-dimensional polyphosphoric acids of UO 2 2+ complexes with the growth of bond covalence of metal ion-phosphonic group the acidjty of the second hydroxyl of the phosphonic group increases

Complex Networks IX

CERN Document Server

Coronges, Kate; Gonçalves, Bruno; Sinatra, Roberta; Vespignani, Alessandro; Proceedings of the 9th Conference on Complex Networks; CompleNet 2018

2018-01-01

This book aims to bring together researchers and practitioners working across domains and research disciplines to measure, model, and visualize complex networks. It collects the works presented at the 9th International Conference on Complex Networks (CompleNet) 2018 in Boston, MA in March, 2018. With roots in physical, information and social science, the study of complex networks provides a formal set of mathematical methods, computational tools and theories to describe prescribe and predict dynamics and behaviors of complex systems. Despite their diversity, whether the systems are made up of physical, technological, informational, or social networks, they share many common organizing principles and thus can be studied with similar approaches. This book provides a view of the state-of-the-art in this dynamic field and covers topics such as group decision-making, brain and cellular connectivity, network controllability and resiliency, online activism, recommendation systems, and cyber security.

Myocardial ischemia analysis based on electrocardiogram QRS complex

International Nuclear Information System (INIS)

Song, J.; Yan, H.; Xu, Z.; Yu, X.; Zhu, R.

2011-01-01

Full text: Electrocardiogram (ECG) is an economic, convenient, and non-invasive detecting tool in myocardial ischemia (MI), and its clinical appearance is mainly exhibited by the changes in ST-T complex. Recently, QRS complex characters were proposed to analyze MI by more and more researchers. In this paper, various QRS complex characters were extracted in ECG signals, and their relationship was analyzed systematically. As a result, these characters were divided into two groups, and there existed good relationship among them for each group, while the poor relationship between the groups. Then these QRS complex characters were applied for statistical analysis on MI, and five characters had significant differences after ECG recording verification, which were: QRS upward and downward slopes, transient heart rate, angle R and angle Q. On the other hand, these QRS complex characters were analyzed in frequency domain. Experimental results showed that the frequency features of RR interval series (Heart Rate Variability, HRV), and QRS barycenter sequence had signjficant differences between MI states and normal states. Moreover, QRS barycenter sequence performed better. (author)

Plastic scintillators with {beta}-diketone Eu complexes for high ionizing radiation detection

Energy Technology Data Exchange (ETDEWEB)

Adadurov, A.F., E-mail: adadurov@isma.kharkov.ua [Institute for Scintillating Materials, NAN of Ukraine, Lenin Avenue 60, 61001 Kharkov (Ukraine); Zhmurin, P.N.; Lebedev, V.N.; Kovalenko, V.N. [Institute for Scintillating Materials, NAN of Ukraine, Lenin Avenue 60, 61001 Kharkov (Ukraine)

2011-10-15

Luminescent and scintillation properties of polystyrene-based plastic scintillators with {beta}-diketone Eu complexes are investigated. A scintillator with dibenzoylmethane Eu complex containing two phenyl groups demonstrates the maximum scintillating efficiency. It is shown that plastic scintillators efficiency is dramatically decreased if {beta}-diketone derivatives contain no phenyl groups as substituents. This fact can be explained by exciplex mechanism of energy transfer from a matrix to Eu complex. - Highlights: > Fluorescent properties of polystyrene scintillators with {beta}-diketone complexes of Eu were studied. > Scintillating efficiency is increased with the number of phenyl groups in Eu complex. > This is related to exciplex mechanism of energy transfer from a polymer matrix to Eu complex.

Joint XMM-Newton and Chandra observations of the NGC 1407/1400 complex: A tail of an early-type galaxy and a tale of a nearby merging group

Energy Technology Data Exchange (ETDEWEB)

Su, Yuanyuan [Department of Physics and Astronomy, University of California at Irvine, 4129 Frederick Reines Hall, Irvine, CA 92697 (United States); Gu, Liyi [Department of Physics, University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo (Japan); White III, Raymond E.; Irwin, Jimmy, E-mail: yuanyuas@uci.edu [Department of Physics and Astronomy, University of Alabama, Box 870324, Tuscaloosa, AL 35487 (United States)

2014-05-10

The nearby group centered on its bright central galaxy NGC 1407 has been suggested by previous kinematic studies to be an unusually dark system. It is also known for hosting a bright galaxy, NGC 1400, with a large radial velocity (1200 km s{sup –1}) with respect to the group center. Previous ROSAT X-ray observations revealed an extended region of enhanced surface brightness just eastward of NGC 1400. We investigate the NGC 1407/1400 complex with XMM-Newton and Chandra observations. We find that the temperature and metallicity of the enhanced region are different (cooler and more metal rich) than those of the surrounding group gas but are consistent with those of the interstellar medium (ISM) in NGC 1400. The relative velocity of NGC 1400 is large enough that much of its ISM could have been ram pressure stripped while plunging through the group atmosphere. We conclude that the enhanced region is likely to be hot gas stripped from the ISM of NGC 1400. We constrain the motion of NGC 1400 using the pressure jump at its associated stagnation front and the total mass profile of the NGC 1407 group. We conclude that NGC 1400 is moving within ∼30° of the line of sight with Mach number M≲3. We do not detect any obvious shock features in this complex, perhaps because of the high line-of-sight motion of NGC 1400. With an XMM-Newton pointing on the relatively relaxed eastern side of NGC 1407, we derive a hydrostatic mass for this group of ∼1 × 10{sup 13} M {sub ☉} within 100 kpc. The total mass extrapolated to the virial radius (681 kpc) is 3.8 × 10{sup 13} M {sub ☉}, which puts an upper limit of ∼300 M{sub ⊙}/L{sub B{sub ⊙}} on the mass-to-light ratio of this group. This suggests that the NGC 1407 group is not an unusually dark group.

Evolution of facial color pattern complexity in lemurs.

Science.gov (United States)

Rakotonirina, Hanitriniaina; Kappeler, Peter M; Fichtel, Claudia

2017-11-09

Interspecific variation in facial color patterns across New and Old World primates has been linked to species recognition and group size. Because group size has opposite effects on interspecific variation in facial color patterns in these two radiations, a study of the third large primate radiation may shed light on convergences and divergences in this context. We therefore compiled published social and ecological data and analyzed facial photographs of 65 lemur species to categorize variation in hair length, hair and skin coloration as well as color brightness. Phylogenetically controlled analyses revealed that group size and the number of sympatric species did not influence the evolution of facial color complexity in lemurs. Climatic factors, however, influenced facial color complexity, pigmentation and hair length in a few facial regions. Hair length in two facial regions was also correlated with group size and may facilitate individual recognition. Since phylogenetic signals were moderate to high for most models, genetic drift may have also played a role in the evolution of facial color patterns of lemurs. In conclusion, social factors seem to have played only a subordinate role in the evolution of facial color complexity in lemurs, and, more generally, group size appears to have no systematic functional effect on facial color complexity across all primates.

[Innovative culture and diagnosis related groups in a high complexity hospital, Colombia].

Science.gov (United States)

Gorbanev, Iouri; Agudelo-Londoño, Sandra; Cortes, Ariel; Yepes, Francisco J

2016-04-01

Objectives To characterize the perception of Diagnosis-Related Groups (DRGs) as an innovation among physicians, nurses and administrative staff in a hospital in Colombia. Methods A case study of innovative culture in a hospital. Surveys and focus groups were carried out with the medical, nursing and administrative staff. Descriptive statistics were calculated for the perceptions of innovative culture. Comparative analysis was done between professional groups. The results of the focus groups were transcribed and analyzed to deepen the findings of the surveys. Results Significant differences were found in perceptions of the innovative culture. The nursing staff were more enthusiastic than doctors when evaluating the innovative culture and leadership. Physicians felt more autonomy when discussing professional issues. Administrative staff assessed the Hospital's disposition to acquire new medical technologies as higher than that of physicians. The three groups know little about DRG's. Conclusions When implementing a health innovation it is advisable to analyze its effect on the professionals who participate in the implementation. Physicians perceive DRGs as a threat to their professional autonomy, while nurses see it as a pro-innovation force. It is important to involve nursing and administrative staff when implementing this kind of innovation.

Adsorption of lead(II) and copper(II) on activated carbon by complexation with surface functional groups

International Nuclear Information System (INIS)

Pesavento, Maria; Profumo, Antonella; Alberti, Giancarla; Conti, Fabio

2003-01-01

The adsorption of lead(II) and copper(II) on an activated carbon (Filtrasorb 300, Chemviron) was characterized assuming that it takes place by formation of complexes with functional groups, present in the activated carbon. Their concentration and conditional adsorption coefficients were determined for each metal by titration of the carbon in suspension in aqueous phase, at constant acidity, with the metal itself. For each titration point, the concentration of the metal in the solution phase after equilibration was determined, and the data were processed by the Ruzic linearization method, to obtain the concentration of the active sites involved in the sorption, and the conditional constant. The effect of the pH was also examined, in the range 4-6, obtaining that the adsorption increases at increasing pH. The protonation and adsorption constants were determined from the conditional adsorption coefficients obtained at the different acidities. The concentration of the active sites is 0.023 and 0.042 mmol g -1 , and the protonation constants are 1.0x10 6 and 4.6x10 4 M -1 for Pb(II) and Cu(II). The corresponding adsorption constants are respectively 1.4x10 5 and 6.3x10 3 M -1 . All the parameters are affected by a large uncertainty, probably due to the heterogeneity of the active groups in the activated carbon. Even if so, these parameters make it possible a good prediction of the adsorption in a wide range of conditions. Other sorption mechanism can be set up at different conditions, in particular at different pH, as it has been demonstrated in the case of copper(II)

Adsorption of lead(II) and copper(II) on activated carbon by complexation with surface functional groups

Energy Technology Data Exchange (ETDEWEB)

Pesavento, Maria; Profumo, Antonella; Alberti, Giancarla; Conti, Fabio

2003-03-17

The adsorption of lead(II) and copper(II) on an activated carbon (Filtrasorb 300, Chemviron) was characterized assuming that it takes place by formation of complexes with functional groups, present in the activated carbon. Their concentration and conditional adsorption coefficients were determined for each metal by titration of the carbon in suspension in aqueous phase, at constant acidity, with the metal itself. For each titration point, the concentration of the metal in the solution phase after equilibration was determined, and the data were processed by the Ruzic linearization method, to obtain the concentration of the active sites involved in the sorption, and the conditional constant. The effect of the pH was also examined, in the range 4-6, obtaining that the adsorption increases at increasing pH. The protonation and adsorption constants were determined from the conditional adsorption coefficients obtained at the different acidities. The concentration of the active sites is 0.023 and 0.042 mmol g{sup -1}, and the protonation constants are 1.0x10{sup 6} and 4.6x10{sup 4} M{sup -1} for Pb(II) and Cu(II). The corresponding adsorption constants are respectively 1.4x10{sup 5} and 6.3x10{sup 3} M{sup -1}. All the parameters are affected by a large uncertainty, probably due to the heterogeneity of the active groups in the activated carbon. Even if so, these parameters make it possible a good prediction of the adsorption in a wide range of conditions. Other sorption mechanism can be set up at different conditions, in particular at different pH, as it has been demonstrated in the case of copper(II)

Physico-chemical studies of some aminobenzoic acid hydrazide complexes

Directory of Open Access Journals (Sweden)

S. ABD EL HALEEM

2004-04-01

Full Text Available The stability constants and related thermodynamic functions characterizing the formation of divalent Ni, Cu, Zn, Cd and Hg complexes with o- and p-aminobenzoic acid hydrazide were determined potentiometrically at different temperatures. The formations of the complexes are endothermic processes. The formed bonds are mainly electrostatic. Conductometric titration was carried out to determine the stoichiometry and stability of the formed complexes. The structures of complexes were characterized by their IR, 1H-NMR and 13C-NMR spectra, as well as X-ray diffractograms. The coordination process takes place through the carbonyl group and the terminal hydrazinic amino group. The thermal stability of the complexes was followed in the temperature range 20–600ºC.

Intertextuality for Handling Complex Environmental Issues

Science.gov (United States)

Byhring, Anne Kristine; Knain, Erik

2016-01-01

Nowhere is the need for handling complexity more pertinent than in addressing environmental issues. Our study explores students' situated constructs of complexity in unfolding discourses on socio-scientific issues. Students' dialogues in two group-work episodes are analysed in detail, with tools from Systemic Functional Linguistics. We identify…

A Poststructuralist View on Student’s Project Groups

DEFF Research Database (Denmark)

Christensen, Gerd

2016-01-01

The aim of this paper is to demonstrate how poststructuralism and social constructionism can contribute to the empirical research on groups in problem-based learning (PBL). The paper outlines the analytical complexity and shows, through empirical examples, the potentials and limitations of this p...... no guidance for practice. Though both limitations raise serious problems for the practitioner, I intend to argue that the potentials of the analytical perspective are far more important than the challenges when it comes to social psychological research in groups in PBL......The aim of this paper is to demonstrate how poststructuralism and social constructionism can contribute to the empirical research on groups in problem-based learning (PBL). The paper outlines the analytical complexity and shows, through empirical examples, the potentials and limitations...... of this perspective as an alternative to traditional group psychology. While the potentials of poststructuralism and social constructionism as an analytical complex seem to be the endeavor for relentless critique, the limitations are the ‘empty subject’ and the avoidance of any kind of normativity that leave...

Plastic scintillators with β-diketone Eu complexes for high ionizing radiation detection

International Nuclear Information System (INIS)

Adadurov, A.F.; Zhmurin, P.N.; Lebedev, V.N.; Kovalenko, V.N.

2011-01-01

Luminescent and scintillation properties of polystyrene-based plastic scintillators with β-diketone Eu complexes are investigated. A scintillator with dibenzoylmethane Eu complex containing two phenyl groups demonstrates the maximum scintillating efficiency. It is shown that plastic scintillators efficiency is dramatically decreased if β-diketone derivatives contain no phenyl groups as substituents. This fact can be explained by exciplex mechanism of energy transfer from a matrix to Eu complex. - Highlights: → Fluorescent properties of polystyrene scintillators with β-diketone complexes of Eu were studied. → Scintillating efficiency is increased with the number of phenyl groups in Eu complex. → This is related to exciplex mechanism of energy transfer from a polymer matrix to Eu complex.

Unusual C-C bond cleavage in the formation of amine-bis(phenoxy) group 4 benzyl complexes: Mechanism of formation and application to stereospecific polymerization

KAUST Repository

Gowda, Ravikumar R.

2014-08-11

Group 4 tetrabenzyl compounds MBn4 (M = Zr, Ti), upon protonolysis with an equimolar amount of the tetradentate amine-tris(phenol) ligand N[(2,4-tBu2C6H2(CH 2)OH]3 in toluene from -30 to 25 °C, unexpectedly lead to amine-bis(phenoxy) dibenzyl complexes, BnCH2N[(2,4- tBu2C6H2(CH2)O] 2MBn2 (M = Zr (1), Ti (2)) in 80% (1) and 75% (2) yields. This reaction involves an apparent cleavage of the >NCH2-ArOH bond (loss of the phenol in the ligand) and formation of the >NCH 2-CH2Bn bond (gain of the benzyl group in the ligand). Structural characterization of 1 by X-ray diffraction analysis confirms that the complex formed is a bis(benzyl) complex of Zr coordinated by a newly derived tridentate amine-bis(phenoxy) ligand arranged in a mer configuration in the solid state. The abstractive activation of 1 and 2 with B(C6F 5)3·THF in CD2Cl2 at room temperature generates the corresponding benzyl cations {BnCH2N[(2,4- tBu2C6H2(CH2)O] 2MBn(THF)}+[BnB(C6F5) 3]- (M = Zr (3), Ti, (4)). These cationic complexes, along with their analogues derived from (imino)phenoxy tri- and dibenzyl complexes, [(2,6-iPr2C6H3)N=C(3,5- tBu2C6H2)O]ZrBn3 (5) and [2,4-Br2C6H2(O)(6-CH2(NC 5H9))CH2N=CH(2-adamantyl-4-MeC 6H2O)]ZrBn2 (6), have been found to effectively polymerize the biomass-derived renewable β-methyl-α-methylene- γ-butyrolactone (βMMBL) at room temperature into the highly stereoregular polymer PβMMBL with an isotacticity up to 99% mm. A combined experimental and DFT study has yielded a mechanistic pathway for the observed unusual C-C bond cleavage in the present protonolysis reaction between ZrBn4 and N[(2,4-tBu2C 6H2(CH2)OH]3 for the formation of complex 1, which involves the benzyl radical and the Zr(III) species, resulting from thermal and photochemical decomposition of ZrBn4, followed by a series of reaction sequences consisting of protonolysis, tautomerization, H-transfer, oxidation, elimination, and radical coupling. © 2014 American Chemical Society.

Electrospun complexes - functionalised nanofibres

Energy Technology Data Exchange (ETDEWEB)

Meyer, T.; Wolf, M.; Dreyer, B.; Unruh, D.; Krüger, C.; Menze, M. [Leibniz University Hannover, Institute of Inorganic Chemistry (Germany); Sindelar, R. [University of Applied Science Hannover, Faculty II (Germany); Klingelhöfer, G. [Gutenberg-University, Institute of Inorganic and Analytic Chemistry (Germany); Renz, F., E-mail: renz@acd.uni-hannover.de [Leibniz University Hannover, Institute of Inorganic Chemistry (Germany)

2016-12-15

Here we present a new approach of using iron-complexes in electro-spun fibres. We modify poly(methyl methacrylate) (PMMA) by replacing the methoxy group with Diaminopropane or Ethylenediamine. The complex is bound covalently via an imine-bridge or an amide. The resulting polymer can be used in the electrospinning process without any further modifications in method either as pure reagent or mixed with small amounts of not functionalised polymer resulting in fibres of different qualities (Fig. 1).

Modeling Hydrodynamics on the Wave Group Scale in Topographically Complex Reef Environments

Science.gov (United States)

Reyns, J.; Becker, J. M.; Merrifield, M. A.; Roelvink, J. A.

2016-02-01

The knowledge of the characteristics of waves and the associated wave-driven currents is important for sediment transport and morphodynamics, nutrient dynamics and larval dispersion within coral reef ecosystems. Reef-lined coasts differ from sandy beaches in that they have a steep offshore slope, that the non-sandy bottom topography is very rough, and that the distance between the point of maximum short wave dissipation and the actual coastline is usually large. At this short wave breakpoint, long waves are released, and these infragravity (IG) scale motions account for the bulk of the water level variance on the reef flat, the lagoon and eventually, the sandy beaches fronting the coast through run-up. These IG energy dominated water level motions are reinforced during extreme events such as cyclones or swells through larger incident band wave heights and low frequency wave resonance on the reef. Recently, a number of hydro(-morpho)dynamic models that have the capability to model these IG waves have successfully been applied to morphologically differing reef environments. One of these models is the XBeach model, which is curvilinear in nature. This poses serious problems when trying to model an entire atoll for example, as it is extremely difficult to build curvilinear grids that are optimal for the simulation of hydrodynamic processes, while maintaining the topology in the grid. One solution to remediate this problem of grid connectivity is the use of unstructured grids. We present an implementation of the wave action balance on the wave group scale with feedback to the flow momentum balance, which is the foundation of XBeach, within the framework of the unstructured Delft3D Flexible Mesh model. The model can be run in stationary as well as in instationary mode, and it can be forced by regular waves, time series or wave spectra. We show how the code is capable of modeling the wave generated flow at a number of topographically complex reef sites and for a number of

Generic features of the dynamics of complex open quantum systems: statistical approach based on averages over the unitary group.

Science.gov (United States)

Gessner, Manuel; Breuer, Heinz-Peter

2013-04-01

We obtain exact analytic expressions for a class of functions expressed as integrals over the Haar measure of the unitary group in d dimensions. Based on these general mathematical results, we investigate generic dynamical properties of complex open quantum systems, employing arguments from ensemble theory. We further generalize these results to arbitrary eigenvalue distributions, allowing a detailed comparison of typical regular and chaotic systems with the help of concepts from random matrix theory. To illustrate the physical relevance and the general applicability of our results we present a series of examples related to the fields of open quantum systems and nonequilibrium quantum thermodynamics. These include the effect of initial correlations, the average quantum dynamical maps, the generic dynamics of system-environment pure state entanglement and, finally, the equilibration of generic open and closed quantum systems.

Modulation of EEG Theta Band Signal Complexity by Music Therapy

Science.gov (United States)

Bhattacharya, Joydeep; Lee, Eun-Jeong

The primary goal of this study was to investigate the impact of monochord (MC) sounds, a type of archaic sounds used in music therapy, on the neural complexity of EEG signals obtained from patients undergoing chemotherapy. The secondary goal was to compare the EEG signal complexity values for monochords with those for progressive muscle relaxation (PMR), an alternative therapy for relaxation. Forty cancer patients were randomly allocated to one of the two relaxation groups, MC and PMR, over a period of six months; continuous EEG signals were recorded during the first and last sessions. EEG signals were analyzed by applying signal mode complexity, a measure of complexity of neuronal oscillations. Across sessions, both groups showed a modulation of complexity of beta-2 band (20-29Hz) at midfrontal regions, but only MC group showed a modulation of complexity of theta band (3.5-7.5Hz) at posterior regions. Therefore, the neuronal complexity patterns showed different changes in EEG frequency band specific complexity resulting in two different types of interventions. Moreover, the different neural responses to listening to monochords and PMR were observed after regular relaxation interventions over a short time span.

Fanconi anemia group A and C double-mutant mice: functional evidence for a multi-protein Fanconi anemia complex.

Science.gov (United States)

Noll, Meenakshi; Battaile, Kevin P; Bateman, Raynard; Lax, Timothy P; Rathbun, Keany; Reifsteck, Carol; Bagby, Grover; Finegold, Milton; Olson, Susan; Grompe, Markus

2002-07-01

Fanconi anemia (FA) is a genetically heterogeneous disorder associated with defects in at least eight genes. The biochemical function(s) of the FA proteins are unknown, but together they define the FA pathway, which is involved in cellular responses to DNA damage and in other cellular processes. It is currently unknown whether all FA proteins are involved in controlling a single function or whether some of the FA proteins have additional roles. The aim of this study was 1) to determine whether the FA group A and group C genes have identical or partially distinct functions, and 2) to have a better model for human FA. We generated mice with a targeted mutation in fanca and crossed them with fancc disrupted animals. Several phenotypes including sensitivity to DNA cross linkers and ionizing radiation, hematopoietic colony growth, and germ cell loss were analyzed in fanca-/-, fancc-/-, fanca/fancc double -/-, and controls. Fibroblast cells and hematopoietic precursors from fanca/fancc double-mutant mice were not more sensitive to MMC than those of either single mutant. fanca/fancc double mutants had no evidence for an additive phenotype at the cellular or organismal level. These results support a model where both FANCA and FANCC are part of a multi-protein nuclear FA complex with identical function in cellular responses to DNA damage and germ cell survival.

Organotin complexes with phosphines

International Nuclear Information System (INIS)

Passos, B. de F.T.; Jesus Filho, M.F. de; Filgueiras, C.A.L.; Abras, A.

1988-01-01

A series of organotin complexes was prepared involving phosphines bonded to the organotin moiety. The series include derivatives of SnCl x Ph 4-x (where x varied from zero to four with the phosphines Ph 3 P, (Ph 2 P)CH 2 , (Ph 2 P) 2 (CH 2 ) 2 , cis-(Ph 2 P)CH 2 , and CH 3 C(CH 2 PPh 2 ) 3 . A host of new complexes was obtained, showing different stoichiometries, bonding modes, and coordination numbers around the tin atom. These complexes were characterized by several different chemical and physical methods. The 119 Sn Moessbauer parameters varied differently. Whereas isomer shift values did not great variation for each group of complexs with the same organotin parent (SnCl x Ph 4-x ), reflecting a small change in s charge distribution on the Sn atom upon complexation, quadrupole splitting results varied widely, however, when the parent organotin compound was wholly symmetric (SnCl 4 and SnPPh 4 ), the complexes also tended to show quadrupole splitting values approaching zero. (author)

Action Recognition Using Discriminative Structured Trajectory Groups

KAUST Repository

Atmosukarto, Indriyati

2015-01-06

In this paper, we develop a novel framework for action recognition in videos. The framework is based on automatically learning the discriminative trajectory groups that are relevant to an action. Different from previous approaches, our method does not require complex computation for graph matching or complex latent models to localize the parts. We model a video as a structured bag of trajectory groups with latent class variables. We model action recognition problem in a weakly supervised setting and learn discriminative trajectory groups by employing multiple instance learning (MIL) based Support Vector Machine (SVM) using pre-computed kernels. The kernels depend on the spatio-temporal relationship between the extracted trajectory groups and their associated features. We demonstrate both quantitatively and qualitatively that the classification performance of our proposed method is superior to baselines and several state-of-the-art approaches on three challenging standard benchmark datasets.

Environmentally-relevant concentrations of Al(III) and Fe(III) cations induce aggregation of free DNA by complexation with phosphate group.

Science.gov (United States)

Qin, Chao; Kang, Fuxing; Zhang, Wei; Shou, Weijun; Hu, Xiaojie; Gao, Yanzheng

2017-10-15

Environmental persistence of free DNA is influenced by its complexation with other chemical species and its aggregation mechanisms. However, it is not well-known how naturally-abundant metal ions, e.g., Al(III) and Fe(III), influence DNA aggregation. This study investigated aggregation behaviors of model DNA from salmon testes as influenced by metal cations, and elucidated the predominant mechanism responsible for DNA aggregation. Compared to monovalent (K + and Na + ) and divalent (Ca 2+ and Mg 2+ ) cations, Al(III) and Fe(III) species in aqueous solution caused rapid DNA aggregations. The maximal DNA aggregation occurred at 0.05 mmol/L Al(III) or 0.075 mmol/L Fe(III), respectively. A combination of atomic force microscopy, transmission electron microscopy, Fourier transform infrared spectroscopy, and X-ray photoelectron spectroscopy revealed that Al(III) and Fe(III) complexed with negatively charged phosphate groups to neutralize DNA charges, resulting in decreased electrostatic repulsion and subsequent DNA aggregation. Zeta potential measurements and molecular computation further support this mechanism. Furthermore, DNA aggregation was enhanced at higher temperature and near neutral pH. Therefore, DNA aggregation is collectively determined by many environmental factors such as ion species, temperature, and solution pH. Copyright © 2017 Elsevier Ltd. All rights reserved.

Expression of LacdiNAc Groups on N-Glycans among Human Tumors Is Complex

Directory of Open Access Journals (Sweden)

Kiyoko Hirano

2014-01-01

Full Text Available Aberrant glycosylation of proteins and lipids is one of the characteristic features of malignantly transformed cells. The GalNAcβ1 → 4GlcNAc (LacdiNAc or LDN group at the nonreducing termini of both N- and O-glycans is not generally found in mammalian cells. We previously showed that the expression level of the LacdiNAc group in N-glycans decreases dramatically during the progression of human breast cancer. In contrast, the enhanced expression of the LacdiNAc group has been shown to be associated with the progression of human prostate, ovarian, and pancreatic cancers. Therefore, the expression of the disaccharide group appears to be dependent on types of tumors. The mechanism of formation of the LacdiNAc group in human tumors and cancer cells has been studied, and two β4-N-acetylgalacto-saminyltransferases (β4GalNAcTs, β4GalNAcT3 and β4GalNAcT4, have been shown to be involved in the biosynthesis of this disaccharide group in a tissue-dependent manner. Transfection of the β4GalNAcT3 gene brought about significant changes in the malignant phenotypes of human neuroblastoma, indicating that this disaccharide group is important for suppressing the tumor growth.

Vocal complexity and sociality in spotted paca (Cuniculus paca).

Science.gov (United States)

Lima, Stella G C; Sousa-Lima, Renata S; Tokumaru, Rosana S; Nogueira-Filho, Sérgio L G; Nogueira, Selene S C

2018-01-01

The evolution of sociality is related to many ecological factors that act on animals as selective forces, thus driving the formation of groups. Group size will depend on the payoffs of group living. The Social Complexity Hypothesis for Communication (SCHC) predicts that increases in group size will be related to increases in the complexity of the communication among individuals. This hypothesis, which was confirmed in some mammal societies, may be useful to trace sociality in the spotted paca (Cuniculus paca), a Neotropical caviomorph rodent reported as solitary. There are, however, sightings of groups in the wild, and farmers easily form groups of spotted paca in captivity. Thus, we aimed to describe the acoustic repertoire of captive spotted paca to test the SCHC and to obtain insights about the sociability of this species. Moreover, we aimed to verify the relationship between group size and acoustic repertoire size of caviomorph rodents, to better understand the evolution of sociality in this taxon. We predicted that spotted paca should display a complex acoustic repertoire, given their social behavior in captivity and group sightings in the wild. We also predicted that in caviomorph species the group size would increase with acoustic repertoire, supporting the SCHC. We performed a Linear Discriminant Analysis (LDA) based on acoustic parameters of the vocalizations recorded. In addition, we applied an independent contrasts approach to investigate sociality in spotted paca following the social complexity hypothesis, independent of phylogeny. Our analysis showed that the spotted paca's acoustic repertoire contains seven vocal types and one mechanical signal. The broad acoustic repertoire of the spotted paca might have evolved given the species' ability to live in groups. The relationship between group size and the size of the acoustic repertoires of caviomorph species was confirmed, providing additional support for the SCHC in yet another group of diverse mammals

A method for the preparation of lipophilic macrocyclic technetium-99m complexes

International Nuclear Information System (INIS)

Troutner, D.E.; Volkert, W.A.

1991-01-01

A procedure for the preparation of technetium complexes applicable as diagnostic radiopharmaceuticals is suggested and documented with 27 examples. Technetium-99m is reacted with a suitable complexant selected from the class of alkylenamine oximes containing 2 or 3 carbon atoms in the alkylene group. The lipophilic macrocyclic complexes possess an amine, amide, carboxy, carboxy ester, hydroxy or alkoxy group or a suitable electron acceptor group. (M.D.). 7 tabs

Complex scaling in the cluster model

International Nuclear Information System (INIS)

Kruppa, A.T.; Lovas, R.G.; Gyarmati, B.

1987-01-01

To find the positions and widths of resonances, a complex scaling of the intercluster relative coordinate is introduced into the resonating-group model. In the generator-coordinate technique used to solve the resonating-group equation the complex scaling requires minor changes in the formulae and code. The finding of the resonances does not need any preliminary guess or explicit reference to any asymptotic prescription. The procedure is applied to the resonances in the relative motion of two ground-state α clusters in 8 Be, but is appropriate for any systems consisting of two clusters. (author) 23 refs.; 5 figs

Ring complexes and related rocks in Africa

Science.gov (United States)

Vail, J. R.

Over 625 igneous complexes throughout Africa and Arabia have been selected and classified on the basis of petrographic association and chronology into six broad age groups forming 29 provinces. The groups range from Mid-Proterozoic to Tertiary and include gabbro, granite, syenite, foid syenite and carbonatite plutonic rocks, the majority in the form of ring-dykes, cone-sheets, plugs, circular intrusions, and their associated extrusive phases. Pan-African late or post-orogenic complexes (720-490 Ma) are common in the Arabian-Nubian and Tuareg shields of north Africa originating from subduction zone derived magmatism. Anorogenic complexes in Egypt, NE and central Sudan, Niger, Nigeria, Cameroon, Zaïre-Burundi, Malawi, Mozambique, Zimbabwe, Namibia and Angola span 550 to 50 Ma and are dominantly alkali granites and foid syenites. Many groups occur as en-echelon bands within linear arrays, and show migrating centres of intrusion in variable directions. In W. Africa there was a progressive shift of emplacement southwards during early Ordovician to Mid-Cretaceous times. Distribution patterns suggest thatdeep seated features, such as shear zones associated with lithospheric plate movements,controlled melting, and the resultant location of the complexes. Economic mineralization is not widespread in the rocks of the African ring complexes and is mainly restricted to small deposits of Sn, W, F, U and Nb.

A cyclopalladated complex interacts with mitochondrial membrane thiol-groups and induces the apoptotic intrinsic pathway in murine and cisplatin-resistant human tumor cells

International Nuclear Information System (INIS)

Serrano, Fabiana A; Machado, Joel Jr; Santos, Edson L; Pesquero, João B; Martins, Rafael M; Travassos, Luiz R; Caires, Antonio CF; Rodrigues, Elaine G; Matsuo, Alisson L; Monteforte, Priscila T; Bechara, Alexandre; Smaili, Soraya S; Santana, Débora P; Rodrigues, Tiago; Pereira, Felipe V; Silva, Luis S

2011-01-01

Systemic therapy for cancer metastatic lesions is difficult and generally renders a poor clinical response. Structural analogs of cisplatin, the most widely used synthetic metal complexes, show toxic side-effects and tumor cell resistance. Recently, palladium complexes with increased stability are being investigated to circumvent these limitations, and a biphosphinic cyclopalladated complex {Pd 2 [S (-) C 2 , N-dmpa] 2 (μ-dppe)Cl 2 } named C7a efficiently controls the subcutaneous development of B16F10-Nex2 murine melanoma in syngeneic mice. Presently, we investigated the melanoma cell killing mechanism induced by C7a, and extended preclinical studies. B16F10-Nex2 cells were treated in vitro with C7a in the presence/absence of DTT, and several parameters related to apoptosis induction were evaluated. Preclinical studies were performed, and mice were endovenously inoculated with B16F10-Nex2 cells, intraperitoneally treated with C7a, and lung metastatic nodules were counted. The cytotoxic effects and the respiratory metabolism were also determined in human tumor cell lines treated in vitro with C7a. Cyclopalladated complex interacts with thiol groups on the mitochondrial membrane proteins, causes dissipation of the mitochondrial membrane potential, and induces Bax translocation from the cytosol to mitochondria, colocalizing with a mitochondrial tracker. C7a also induced an increase in cytosolic calcium concentration, mainly from intracellular compartments, and a significant decrease in the ATP levels. Activation of effector caspases, chromatin condensation and DNA degradation, suggested that C7a activates the apoptotic intrinsic pathway in murine melanoma cells. In the preclinical studies, the C7a complex protected against murine metastatic melanoma and induced death in several human tumor cell lineages in vitro, including cisplatin-resistant ones. The mitochondria-dependent cell death was also induced by C7a in human tumor cells. The cyclopalladated C7a complex is

Stellar complexes in spiral arms of galaxies

Science.gov (United States)

Efremov, Yu. N.

The history of the introduction and development of the star complexes conception is briefly described. These large groups of stars were picked out and named as such ones in our Galaxy with argumentation and evidence for their physical unity (using the Cepheid variables the distances and ages of which are easy determined from their periods); anyway earlier the complexes were noted along the spiral arms of the Andromeda galaxy, but were not recognized as a new kind of star group. The chains of complexes along the spiral arms are observed quite rarely; their origin is explained by magneto- gravitational or purely gravitational instability developing along the arm. It is not clear why these chains are quite a rare phenomenon - and more so why sometimes the regular chain of complexes are observed in one arm only. Probably intergalactic magnetic field participated in formation of such chains. Apart from the complexes located along the arms, there are isolated giant complexes known (up to 700 pc in diameter) which look like super-gigantic but rather rarefied globular clusters. Until now only two of these formations are studied, in NGC 6946 and M51.

Three Levels of Diversity: An Examination of the Complex Relationship Between Diversity, Group Cohesiveness, Sexual Harassment, Group Performance, and Time

National Research Council Canada - National Science Library

Whaley, Gary

1998-01-01

...: surface, working, and deep level diversity. The author explains the nature of the relationship between the three levels of diversity and posits a general model of organizational behavior including diversity, group cohesiveness, group...

Multi-agent and complex systems

CERN Document Server

Ren, Fenghui; Fujita, Katsuhide; Zhang, Minjie; Ito, Takayuki

2017-01-01

This book provides a description of advanced multi-agent and artificial intelligence technologies for the modeling and simulation of complex systems, as well as an overview of the latest scientific efforts in this field. A complex system features a large number of interacting components, whose aggregate activities are nonlinear and self-organized. A multi-agent system is a group or society of agents which interact with others cooperatively and/or competitively in order to reach their individual or common goals. Multi-agent systems are suitable for modeling and simulation of complex systems, which is difficult to accomplish using traditional computational approaches.

unsymmetrical Schiff base complexes

Indian Academy of Sciences (India)

the effect of the substitutional groups of the Schiff base on the oxidation and reduction potentials, we used ... Electrochemistry of these complexes showed that the presence of electron .... a solution of the ligand (1 mmol) in methanol (15 mL).

The impact of supraventricular ectopic complexes in different age groups and risk of recurrent atrial fibrillation after antiarrhythmic medication or catheter ablation

DEFF Research Database (Denmark)

Alhede, Christina; Lauridsen, Trine K; Johannessen, Arne

2018-01-01

INTRODUCTION: Supraventricular ectopic complexes (SVEC) are known risk factors of recurrent atrial fibrillation (AF). However, the impact of SVEC in different age groups is unknown. We aimed to investigate the risk of AF recurrence with higher SVEC burden in patients ±57years, respectively, after....... RESULTS: Age >57years were significantly associated with higher AF recurrence rate after CA (58% vs 36%, p=0.02). After CA, we observed a higher SVEC burden during follow-up in patients >57years which was not observed in the younger age group treated with CA (p=0.006). High SVEC burden at 3months after CA...... treatment with antiarrhythmic medication (AAD) or catheter ablation (CA). METHODS: In total, 260 patients with LVEF >40% and age ≤70 years were randomized to AAD (N=132) or CA (N=128) as first-line treatment for paroxysmal AF. All patients underwent 7-day Holter monitoring at baseline, and after 3, 6, 12...

A physical complex of the Fanconi anemia proteins FANCG/XRCC9 and FANCA

Science.gov (United States)

Waisfisz, Quinten; de Winter, Johan P.; Kruyt, Frank A. E.; de Groot, Jan; van der Weel, Laura; Dijkmans, Lonneke M.; Zhi, Yu; Arwert, Fré; Scheper, Rik J.; Youssoufian, Hagop; Hoatlin, Maureen E.; Joenje, Hans

1999-01-01

Fanconi anemia (FA) is a recessively inherited disease characterized at the cellular level by spontaneous chromosomal instability and specific hypersensitivity to cross-linking agents. FA is genetically heterogeneous, comprising at least eight complementation groups (A-H). We report that the protein encoded by the gene mutated in complementation group G (FANCG) localizes to the cytoplasm and nucleus of the cell and assembles in a molecular complex with the FANCA protein, both in vivo and in vitro. Endogenous FANCA/FANCG complex was detected in both non-FA cells and in FA cells from groups D and E. By contrast, no complex was detected in specific cell lines belonging to groups A and G, whereas reduced levels were found in cells from groups B, C, F, and H. Wild-type levels of FANCA/FANCG complex were restored upon correction of the cellular phenotype by transfection or cell fusion experiments, suggesting that this complex is of functional significance in the FA pathway. These results indicate that the cellular FA phenotype can be connected to three biochemical subtypes based on the levels of FANCA/FANCG complex. Disruption of the complex may provide an experimental strategy for chemosensitization of neoplastic cells. PMID:10468606

Trajectory grouping structure

Directory of Open Access Journals (Sweden)

Maike Buchin

2015-03-01

Full Text Available The collective motion of a set of moving entities like people, birds, or other animals, is characterized by groups arising, merging, splitting, and ending. Given the trajectories of these entities, we define and model a structure that captures all of such changes using the Reeb graph, a concept from topology. The trajectory grouping structure has three natural parameters that allow more global views of the data in group size, group duration, and entity inter-distance. We prove complexity bounds on the maximum number of maximal groups that can be present, and give algorithms to compute the grouping structure efficiently. We also study how the trajectory grouping structure can be made robust, that is, how brief interruptions of groups can be disregarded in the global structure, adding a notion of persistence to the structure. Furthermore, we showcase the results of experiments using data generated by the NetLogo flocking model and from the Starkey project. The Starkey data describe the movement of elk, deer, and cattle. Although there is no ground truth for the grouping structure in this data, the experiments show that the trajectory grouping structure is plausible and has the desired effects when changing the essential parameters. Our research provides the first complete study of trajectory group evolvement, including combinatorial,algorithmic, and experimental results.

Factors Governing concentration of platinum group elements in layered complexes

DEFF Research Database (Denmark)

Makovicky, E.; Rose-Hansen, J.; Karup-Møller, Sven

1996-01-01

This report covers the synthetic research results obtained by the Danish group on: (1) The phase system Fe-Ir-S at 1100o, 1000o and 800oC, (2) Metal-rich portions of the phase system Pt-Ir-Fe-S: Pt-Fe-Ir alloys and associated sulfides at 1000oC and 1100oC, (3) The Fe (Cu)-Pt-Rh-S system: alloys...

The Koszul complex of a moment map

DEFF Research Database (Denmark)

Herbig, Hans-Christian; Schwarz, Gerald W.

2013-01-01

Let $K\\to\\U(V)$ be a unitary representation of the compact Lie group $K$. Then there is a canonical moment mapping $\\rho\\colon V\\to\\liek^*$. We have the Koszul complex ${\\mathcal K}(\\rho,\\mathcal C^\\infty(V))$ of the component functions $\\rho_1,\\dots,\\rho_k$ of $\\rho$. Let $G=K_\\C$, the complexif......Let $K\\to\\U(V)$ be a unitary representation of the compact Lie group $K$. Then there is a canonical moment mapping $\\rho\\colon V\\to\\liek^*$. We have the Koszul complex ${\\mathcal K}(\\rho,\\mathcal C^\\infty(V))$ of the component functions $\\rho_1,\\dots,\\rho_k$ of $\\rho$. Let $G......$ be a moment mapping and consider the Koszul complex given by the component functions of $\\rho$. We show that the Koszul complex is a resolution of the smooth functions on $Z=\\rho\\inv(0)$ if and only if the complexification of each symplectic slice representation at a point of $Z$ is $1$-large....

A Framework for Semantic Group Formation in Education

Science.gov (United States)

Ounnas, Asma; Davis, Hugh C.; Millard, David E.

2009-01-01

Collaboration has long been considered an effective approach to learning. However, forming optimal groups can be a time consuming and complex task. Different approaches have been developed to assist teachers allocate students to groups based on a set of constraints. However, existing tools often fail to assign some students to groups creating a…

Main Memory Implementations for Binary Grouping

OpenAIRE

May, Norman; Moerkotte, Guido

2005-01-01

An increasing number of applications depend on efficient storage and analysis features for XML data. Hence, query optimization and efficient evaluation techniques for the emerging XQuery standard become more and more important. Many XQuery queries require nested expressions. Unnesting them often introduces binary grouping. We introduce several algorithms implementing binary grouping and analyze their time and space complexity. Experiments demonstrate their performance.

Alanine water complexes.

Science.gov (United States)

Vaquero, Vanesa; Sanz, M Eugenia; Peña, Isabel; Mata, Santiago; Cabezas, Carlos; López, Juan C; Alonso, José L

2014-04-10

Two complexes of alanine with water, alanine-(H2O)n (n = 1,2), have been generated by laser ablation of the amino acid in a supersonic jet containing water vapor and characterized using Fourier transform microwave spectroscopy. In the observed complexes, water molecules bind to the carboxylic group of alanine acting as both proton donors and acceptors. In alanine-H2O, the water molecule establishes two intermolecular hydrogen bonds forming a six-membered cycle, while in alanine-(H2O)2 the two water molecules establish three hydrogen bonds forming an eight-membered ring. In both complexes, the amino acid moiety is in its neutral form and shows the conformation observed to be the most stable for the bare molecule. The microsolvation study of alanine-(H2O)n (n = 1,2) can be taken as a first step toward understanding bulk properties at a microscopic level.

The Complexity of Mitochondrial Complex IV: An Update of Cytochrome c Oxidase Biogenesis in Plants

Science.gov (United States)

Mansilla, Natanael; Racca, Sofia; Gras, Diana E.; Gonzalez, Daniel H.

2018-01-01

Mitochondrial respiration is an energy producing process that involves the coordinated action of several protein complexes embedded in the inner membrane to finally produce ATP. Complex IV or Cytochrome c Oxidase (COX) is the last electron acceptor of the respiratory chain, involved in the reduction of O2 to H2O. COX is a multimeric complex formed by multiple structural subunits encoded in two different genomes, prosthetic groups (heme a and heme a3), and metallic centers (CuA and CuB). Tens of accessory proteins are required for mitochondrial RNA processing, synthesis and delivery of prosthetic groups and metallic centers, and for the final assembly of subunits to build a functional complex. In this review, we perform a comparative analysis of COX composition and biogenesis factors in yeast, mammals and plants. We also describe possible external and internal factors controlling the expression of structural proteins and assembly factors at the transcriptional and post-translational levels, and the effect of deficiencies in different steps of COX biogenesis to infer the role of COX in different aspects of plant development. We conclude that COX assembly in plants has conserved and specific features, probably due to the incorporation of a different set of subunits during evolution. PMID:29495437

Simulations with complex measure

International Nuclear Information System (INIS)

Markham, J.K.; Kieu, T.D.

1997-01-01

A method is proposed to handle the sign problem in the simulation of systems having indefinite or complex-valued measures. In general, this new approach, which is based on renormalisation blocking, is shown to yield statistical errors smaller that the crude Monte Carlo method using absolute values of the original measures. The improved method is applied to the 2D Ising model with temperature generalised to take on complex values. It is also adapted to implement Monte Carlo Renormalisation Group calculations of the magnetic and thermal critical exponents. 10 refs., 4 tabs., 7 figs

Actinide phosphonate complexes in aqueous solutions

International Nuclear Information System (INIS)

Nash, K.L.

1993-01-01

Complexes formed by actinides with carboxylic acids, polycarboxylic acids, and aminopolycarboxylic acids play a central role in both the basic and process chemistry of the actinides. Recent studies of f-element complexes with phosphonic acid ligands indicate that new ligands incorporating doubly ionizable phosphonate groups (-PO 3 H 2 ) have many properties which are unique chemically, and promise more efficient separation processes for waste cleanup and environmental restoration. Simple diphosphonate ligands form much stronger complexes than isostructural carboxylates, often exhibiting higher solubility as well. In this manuscript recent studies of the thermodynamics and kinetics of f-element complexation by 1,1 and 1,2 diphosphonic acid ligands are described

Regional Sm-Nd isotopic study of the central part of the Brasilia belt, Goias: implications of the age and origin of the Anapolis-Itaucu granulitic complex and metasedimentary rocks of the Araxa Group, central region, Brazil

International Nuclear Information System (INIS)

Pimentel, Marcio Martins; Fuck, Reinhardt Adolfo; Fischel, Danielle Piuzanna

1999-01-01

In the central part of the Brasilia Belt, central Brazil, a high grade terrain, the Anapolis-Itaucu Complex, is exposed within the metasedimentary rocks of the Araxa Group. The Anapolis-Itaucu Complex in Goias represents a complex association of high-grade rocks including mafic-ultramafic bodies, charnockites, enderbites, as well as aluminous granulites of sedimentary origin, associated with marbles and quartzites, Narrow volcano-sedimentary belts formed mainly by amphibolites and micashists are also recognized within the complex. This high-grade terrain has been traditionally interpreted as part of the old (Archaean/Paleoproterozoic) sialic basement to the Neo- or mesoproterozoic sediments of the Araxa Group, Brasilia Belt. The granulites and metasediments of the Araxa Group are intruded by a large number of granite intrusions, many of which slow peraluminous character. Sm-Nd isotopic analyses for the garnet-and sillimanite-bearing aluminous granulites indicate T DM model ages between ca. 1.3 and 1.6 Ga. These values represent the upper limit for the age of the protoliths of the granulites, demonstrating that they are (at least in part) younger than suggested in previous models. The intrusive granites have a Sm-Nd isotopic pattern which is not much different from that observed for the felsic granulites, with T DM model ages ranging in the interval between ca. 1.37 and 1.85 Ga. The isotopic compositions of the granitic and granulitic rocks investigated are also similar to those determined for metasediments of the internal zone of the Brasilia Belt (Araxa Group) in central-southern Goias. These metasediments show Nd model ages between ca. 1.2 and 2.2 Ga. The preliminary isotopic data presented are consistent with a model in which the voluminous granitic magmatism identified in the Anapolis-Itaucu Complex and adjacent areas is Neoproterozoic in age, being the result of re-melting of the older sialic crust. The peraluminous nature of many of these granites

Blood conservation pediatric cardiac surgery in all ages and complexity levels.

Science.gov (United States)

Karimi, Mohsen; Sullivan, Jill M; Linthicum, Carrie; Mathew, Anil

2017-04-26

To demonstrate the feasibility of blood conservation methods and practice across all ages and risk categories in congenital cardiac surgery. We retrospectively analyzed a collected database of 356 patients who underwent cardiac surgery using cardiopulmonary bypass (CPB) from 2010-2015. The patients were grouped into blood conservation ( n = 138) and non-conservation ( n = 218) groups and sub-grouped based on their ages and procedural complexity scores. There were no statistical differences in gender, weight, pre-operative and pre-CPB hematocrit levels in both groups. Despite equivalent hematocrit levels during and after CPB for both groups, there was significantly less operative homologous blood utilized in blood conservation group across all ages and complexity levels. Blood conservation surgery can be performed in congenital patients needing cardiac surgery in all age groups and complexity categories. The above findings in addition to attendant risks and side effects of blood transfusion and the rising cost of safer blood products justify blood conservation in congenital cardiac surgery.

Reactions of sigma-bonded organochromium(III)complexes

International Nuclear Information System (INIS)

Leslie, J.P. II.

1975-12-01

Three projects were carried out, each dealing with the kinetics and mechanism of reactions of sigma-bonded organochromium(III) complexes of the form (H 2 O) 5 CrR 2+ . Part I describes the kinetics of the reaction of dichloromethylchromium(III) ion with chromium(II) ion in aqueous acid. Part II deals with the radioexchange of 4-pyridinomethylchromium(III) ion with 51 Cr 2+ and the kinetics of formation of the organochromium species at 55 0 in 1 M H + . Part III deals with the reactions of Hg 2+ and CH 3 Hg + with a series of (H 2 O) 5 CrR 2+ complexes, in which R is an aliphatic alkyl group, a haloalkyl group, or an aralkyl group

An introduction to the chemistry of complex compounds

CERN Document Server

Grinberg, Aleksander Abramovich; Trimble, R F

1962-01-01

An Introduction to the Chemistry of Complex Compounds discusses the fundamental concepts that are essential in understanding the underlying principles of complex compounds. The coverage of the book includes the compounds of the hexa, penta, and tetrammine type; compounds of the tri, dl, monoamine and hexacido types for the coordination number of 6; and complex compounds with a coordination number of 4. The text also covers the effects and chemical properties of complex compounds, such as the nature of the force of complex formation; the mutual effects of coordinated groups; and acid-base prope

Supramolecular effects in dendritic systems containing photoactive groups

Directory of Open Access Journals (Sweden)

GIANLUCA CAMILLO AZZELLINI

2000-03-01

Full Text Available In this article are described dendritic structures containing photoactive groups at the surface or in the core. The observed supramolecular effects can be attributed to the nature of the photoactive group and their location in the dendritic architecture. The peripheric azobenzene groups in these dendrimeric compounds can be regarded as single residues that retain the spectroscopic and photochemical properties of free azobenzene moiety. The E and Z forms of higher generation dendrimer, functionalized with azobenzene groups, show different host ability towards eosin dye, suggesting the possibility of using such dendrimer in photocontrolled host-guest systems. The photophysical properties of many dendritic-bipyridine ruthenium complexes have been investigated. Particularly in aerated medium more intense emission and a longer excited-state lifetime are observed as compared to the parent unsubstituted bipyridine ruthenium complexes. These differences can be attributed to a shielding effect towards dioxygen quenching originated by the dendritic branches.

Large erupted complex odontoma

Directory of Open Access Journals (Sweden)

Vijeev Vasudevan

2009-01-01

Full Text Available Odontomas are a heterogeneous group of jaw bone lesions, classified as odontogenic tumors which usually include well-diversified dental tissues. Odontoma is a term introduced to the literature by Broca in 1867. Trauma, infection and hereditary factors are the possible causes of forming this kind of lesions. Among odontogenic tumors, they constitute about 2/3 of cases. These lesions usually develop slowly and asymptomatically, and in most cases they do not cross the bone borders. Two types of odontoma are recognized: compound and complex. Complex odontomas are less common than the compound variety in the ratio 1:2.3. Eruption of an odontoma in the oral cavity is rare. We present a case of complex odontoma, in which apparent eruption has occurred in the area of the right maxillary second molar region.

Enhanced catalytic four-electron dioxygen (O2) and two-electron hydrogen peroxide (H2O2) reduction with a copper(II) complex possessing a pendant ligand pivalamido group.

Science.gov (United States)

Kakuda, Saya; Peterson, Ryan L; Ohkubo, Kei; Karlin, Kenneth D; Fukuzumi, Shunichi

2013-05-01

A copper complex, [(PV-tmpa)Cu(II)](ClO4)2 (1) [PV-tmpa = bis(pyrid-2-ylmethyl){[6-(pivalamido)pyrid-2-yl]methyl}amine], acts as a more efficient catalyst for the four-electron reduction of O2 by decamethylferrocene (Fc*) in the presence of trifluoroacetic acid (CF3COOH) in acetone as compared with the corresponding copper complex without a pivalamido group, [(tmpa)Cu(II)](ClO4)2 (2) (tmpa = tris(2-pyridylmethyl)amine). The rate constant (k(obs)) of formation of decamethylferrocenium ion (Fc*(+)) in the catalytic four-electron reduction of O2 by Fc* in the presence of a large excess CF3COOH and O2 obeyed first-order kinetics. The k(obs) value was proportional to the concentration of catalyst 1 or 2, whereas the k(obs) value remained constant irrespective of the concentration of CF3COOH or O2. This indicates that electron transfer from Fc* to 1 or 2 is the rate-determining step in the catalytic cycle of the four-electron reduction of O2 by Fc* in the presence of CF3COOH. The second-order catalytic rate constant (k(cat)) for 1 is 4 times larger than the corresponding value determined for 2. With the pivalamido group in 1 compared to 2, the Cu(II)/Cu(I) potentials are -0.23 and -0.05 V vs SCE, respectively. However, during catalytic turnover, the CF3COO(-) anion present readily binds to 2 shifting the resulting complex's redox potential to -0.35 V. The pivalamido group in 1 is found to inhibit anion binding. The overall effect is to make 1 easier to reduce (relative to 2) during catalysis, accounting for the relative k(cat) values observed. 1 is also an excellent catalyst for the two-electron two-proton reduction of H2O2 to water and is also more efficient than is 2. For both complexes, reaction rates are greater than for the overall four-electron O2-reduction to water, an important asset in the design of catalysts for the latter.

Population Dynamics Among six Major Groups of the Oryza rufipogon Species Complex, Wild Relative of Cultivated Asian Rice.

Science.gov (United States)

Kim, HyunJung; Jung, Janelle; Singh, Namrata; Greenberg, Anthony; Doyle, Jeff J; Tyagi, Wricha; Chung, Jong-Wook; Kimball, Jennifer; Hamilton, Ruaraidh Sackville; McCouch, Susan R

2016-12-01

Understanding population structure of the wild progenitor of Asian cultivated rice (O. sativa), the Oryza rufipogon species complex (ORSC), is of interest to plant breeders and contributes to our understanding of rice domestication. A collection of 286 diverse ORSC accessions was evaluated for nuclear variation using genotyping-by-sequencing (113,739 SNPs) and for chloroplast variation using Sanger sequencing (25 polymorphic sites). Six wild subpopulations were identified, with 25 % of accessions classified as admixed. Three of the wild groups were genetically and geographically closely related to the O. sativa subpopulations, indica, aus and japonica, and carried O. sativa introgressions; the other three wild groups were genetically divergent, had unique chloroplast haplotypes, and were located at the geographical extremes of the species range. The genetic subpopulations were significantly correlated (r 2  = 0.562) with traditional species designations, O. rufipogon (perennial) and O. nivara (annual), differentiated based on morphology and life history. A wild diversity panel of 95 purified (inbred) accessions was developed for future genetic studies. Our results suggest that the cultivated aus subpopulation is most closely related to an annual wild relative, japonica to a perennial wild relative, and indica to an admixed population of diverse annual and perennial wild ancestors. Gene flow between ORSC and O. sativa is common in regions where rice is cultivated, threatening the identity and diversity of wild ORSC populations. The three geographically isolated ORSC populations harbor variation rarely seen in cultivated rice and provide a unique window into the genetic composition of ancient rice subpopulations.

Dental implants in medically complex patients-a retrospective study.

Science.gov (United States)

Manor, Yifat; Simon, Roy; Haim, Doron; Garfunkel, Adi; Moses, Ofer

2017-03-01

Dental implant insertion for oral rehabilitation is a worldwide procedure for healthy and medically compromised patients. The impact of systemic disease risks on the outcome of implant therapy is unclear, since there are few if any published randomized controlled trials (RCTs). The objective of this study is to investigate the rate of complications and failures following dental implantation in medically compromised patients in order to elucidate risk factors and prevent them. A retrospective cohort study was conducted from patient files treated with dental implantation between the years 2008-2014. The study group consisted of medically complex patients while the control group consisted of healthy patients. Preoperative, intraoperative, and post operative clinical details were retrieved from patients' files. The survival rate and the success rate of the dental implants were evaluated clinically and radiographically. A total of 204 patients (1003 dental implants) were included in the research, in the study group, 93 patients with 528 dental implants and in the control group, 111 patients with 475 dental implants. No significant differences were found between the groups regarding implant failures or complications. The failure rate of dental implants among the patients was 11.8 % in the study group and 16.2 % in the control group (P = 0.04). It was found that patients with a higher number of implants (mean 6.8) had failures compared with patients with a lower number of implants (mean 4.2) regardless of their health status (P dental implantation in medically complex patients and in healthy patients. Medically complex patients can undergo dental implantation. There are similar rates of complications and failures of dental implants in medically complex patients and in healthy patients.

Synthesis and biodistribution of a novel 99mTc nitrido dithiocarbamate complex containing aromatic group for cerebral imaging

International Nuclear Information System (INIS)

Zhang Junbo; Lin Xiao; Ren Jialei; Liu Jing; Wang Xuebin

2010-01-01

In the present study, the N-benzyl dithiocarbamate (BZDTC) was synthesized and radiolabeled with [ 99m TcN] 2+ intermediate to form the bis(N-benzyl dithiocarbamato) nitrido technetium-99m complex [ 99m TcN(BZDTC) 2 ]. The radiochemical purity of the complex was over 90% by thin layer chromatography (TLC) and high performance liquid chromatography (HPLC). It was stable over 6 h at room temperature. The partition coefficient and electrophoresis results indicated that this complex was lipophilic and neutral. Biodistribution in mice showed that the complex accumulated in the brain with high uptake. The brain uptake (ID%/g) was 1.87, 1.21 and 0.85 and the brain/blood ratio was 0.75, 1.55 and 1.12 at 5, 30 and 60 min post-injection, respectively. These results suggest that this complex could be a potential brain perfusion imaging agent.

Derived equivalences for group rings

CERN Document Server

König, Steffen

1998-01-01

A self-contained introduction is given to J. Rickard's Morita theory for derived module categories and its recent applications in representation theory of finite groups. In particular, Broué's conjecture is discussed, giving a structural explanation for relations between the p-modular character table of a finite group and that of its "p-local structure". The book is addressed to researchers or graduate students and can serve as material for a seminar. It surveys the current state of the field, and it also provides a "user's guide" to derived equivalences and tilting complexes. Results and proofs are presented in the generality needed for group theoretic applications.

Group 13 ligand supported heavy-metal complexes: first structural evidence for gallium-lead and gallium-mercury bonds.

Science.gov (United States)

Prabusankar, Ganesan; Gemel, Christian; Winter, Manuela; Seidel, Rüdiger W; Fischer, Roland A

2010-05-25

Heavy-metal complexes of lead and mercury stabilized by Group 13 ligands were derived from the oxidative addition of Ga(ddp) (ddp=HC(CMeNC(6)H(3)-2,6-iPr(2))(2), 2-diisopropylphenylamino-4-diisopropyl phenylimino-2-pentene) with corresponding metal precursors. The reaction of Me(3)PbCl and Ga(ddp) afforded compound [{(ddp)Ga(Cl)}PbMe(3)] (1) composed of Ga-Pb(IV) bonds. In addition, the monomeric plumbylene-type compound [{(ddp)Ga(OSO(2)CF(3))}(2)Pb(thf)] (2a) with an unsupported Ga-Pb(II)-Ga linkage was obtained by the reaction of [Pb(OSO(2)CF(3))(3)] with Ga(ddp) (2 equiv). Compound 2a falls under the rare example of a discrete plumbylene-type compound supported by a nonclassical ligand. Interesting structural changes were observed when [Pb(OSO(2)CF(3))(3)]2.H(2)O was treated with Ga(ddp) in a 1:2 ratio to yield [{(ddp)Ga(mu-OSO(2)CF(3))}(2)(OH(2))Pb] (2b) at below -10 degrees C. Compound 2b consists of a bent Ga-Pb-Ga backbone with a bridging triflate group between the Ga-Pb bond and a weakly interacting water molecule at the gallium center. Similarly, the reaction of mercury thiolate Hg(SC(6)F(5)) with Ga(ddp) (2 equiv) produced the bimetallic homoleptic compounds anti-[{(ddp)Ga(SC(6)F(5))}(2)Hg] (3a) and gauche-[{(ddp)Ga(SC(6)F(5))}(2)Hg] (3b), respectively, with a linear Ga-Hg-Ga linkage. Compounds 1-3 were structurally characterized and these are the first examples of compounds comprised of Ga-Pb(II), Ga-Pb(IV), and Ga-Hg bonds.

Multivariate sparse group lasso for the multivariate multiple linear regression with an arbitrary group structure.

Science.gov (United States)

Li, Yanming; Nan, Bin; Zhu, Ji

2015-06-01

We propose a multivariate sparse group lasso variable selection and estimation method for data with high-dimensional predictors as well as high-dimensional response variables. The method is carried out through a penalized multivariate multiple linear regression model with an arbitrary group structure for the regression coefficient matrix. It suits many biology studies well in detecting associations between multiple traits and multiple predictors, with each trait and each predictor embedded in some biological functional groups such as genes, pathways or brain regions. The method is able to effectively remove unimportant groups as well as unimportant individual coefficients within important groups, particularly for large p small n problems, and is flexible in handling various complex group structures such as overlapping or nested or multilevel hierarchical structures. The method is evaluated through extensive simulations with comparisons to the conventional lasso and group lasso methods, and is applied to an eQTL association study. © 2015, The International Biometric Society.

Synthesis, physico-chemical and antimicrobial screening studies on 14 and 16-membered hexaazamacrocyclic complexes bearing pendant amine groups

Directory of Open Access Journals (Sweden)

Shakir Mohammad

2006-01-01

Full Text Available The synthesis and characterization of a series of 14 and 16-membered hexaazamacrocyclic complexes, which were obtained via template condensation of 1,2- diaminoethane or 1,3-diaminopropane, formaldehyde and hydrazine hydrate in the presence of first row transition metal salts are reported. Complexes of the types, [ML¹(NO32]; [CuL¹](NO32 and [ML²Cl2]; [CuL²]Cl2 (where M = Co(II, Ni(II and Zn(II, were obtained. Elemental analyses, IR spectra, ¹H NMR, EPR, UV-Vis, magnetic susceptibility and conductivity measurements have ascertained the overall geometry and stereochemistry of the complexes. An octahedral geometry has been suggested for all the complexes, except for copper compounds, in which the metal centre coordinates to the four nitrogen atoms of macrocyclic ligand in a square planar fashion. These complexes were screened against different fungi and bacteria in vitro and were found to be potentially active in the concentration 5 mg mL-1.

Minority dissent, social acceptance in collaborative learning groups

NARCIS (Netherlands)

Curşeu, Petru Lucian; Schruijer, S.G.L.; Fodor, Oana

2017-01-01

The main aim of this paper is to test the extent to which social acceptance moderates the impact of minority dissent on group cognitive complexity (GCC). We hypothesize that divergent views expressed by a minority increase GCC especially when the group climate is open to divergent contributions

Cobalt (III) complexes as novel matrix metalloproteinase-9 inhibitors

International Nuclear Information System (INIS)

Lee, Jiyoun

2012-01-01

We have synthesized a series of novel MMP-9 inhibitors containing cobalt(III) complexes. The synthesized cobalt(III) complexes are effective as enzyme inhibitors and the attachment of a biphenyl group enhanced the efficiency of enzyme inhibition up to 6-fold. When compared to the reported non-hydroxamate MMP inhibitors, the synthesized complexes showed comparable in vitro potency. The enzyme assay showed that the cobalt(III) complex can disrupt the zinc binding active site of MMP-9 and is proposed to work via a ligand exchange mechanism. Since histidine residues are essential for the catalytic activity of a large percentage of enzymes and zinc finger proteins, these cobalt(III) complexes can serve as a prototype inhibitor towards various zinc containing enzymes and proteins. Matrix metalloproteinases (MMPs) are a family of zinc binding endopeptidases that play crucial roles in various physiological processes and diseases such as embryogenic growth, angiogenesis, arthritis, skin ulceration, liver fibrosis and tumor metastasis. Because of their implications in a wide range of diseases, MMPs are considered as intriguing drug targets. The majority of MMP inhibitors are organic small molecules containing a hydroxamate functionality for the zinc binding group. This hydroxamate group binds to a zinc(II) center in a bidentate fashion and creates a distorted trigonal bipyramidal geometry

Cobalt (III) complexes as novel matrix metalloproteinase-9 inhibitors

Energy Technology Data Exchange (ETDEWEB)

Lee, Jiyoun [Sungshin Women' s Univ., Seoul (Korea, Republic of)

2012-04-15

We have synthesized a series of novel MMP-9 inhibitors containing cobalt(III) complexes. The synthesized cobalt(III) complexes are effective as enzyme inhibitors and the attachment of a biphenyl group enhanced the efficiency of enzyme inhibition up to 6-fold. When compared to the reported non-hydroxamate MMP inhibitors, the synthesized complexes showed comparable in vitro potency. The enzyme assay showed that the cobalt(III) complex can disrupt the zinc binding active site of MMP-9 and is proposed to work via a ligand exchange mechanism. Since histidine residues are essential for the catalytic activity of a large percentage of enzymes and zinc finger proteins, these cobalt(III) complexes can serve as a prototype inhibitor towards various zinc containing enzymes and proteins. Matrix metalloproteinases (MMPs) are a family of zinc binding endopeptidases that play crucial roles in various physiological processes and diseases such as embryogenic growth, angiogenesis, arthritis, skin ulceration, liver fibrosis and tumor metastasis. Because of their implications in a wide range of diseases, MMPs are considered as intriguing drug targets. The majority of MMP inhibitors are organic small molecules containing a hydroxamate functionality for the zinc binding group. This hydroxamate group binds to a zinc(II) center in a bidentate fashion and creates a distorted trigonal bipyramidal geometry.

[Interest of complex tasks on laparoscopic virtual reality simulator].

Science.gov (United States)

Valentin, L; Rabischong, B; Compan, C; Botchorichvili, R; Pereira, B; Avan, P

2016-03-01

The purpose of this study was to assess the contribution of complex tasks on virtual reality simulator (VRS) for novice surgeons in laparoscopy learning. Fifty-five medical students were prospectively randomized in two groups (A: basic skills, n=28 and B: basic and complex skills, n=27) and then trained during two sessions on VRS. Evaluations took place before and after each training. These evaluations consisted of the achievement of an intracorporeal suture, recorded on video, with the left then with the right hand. Two independent experts evaluated those gestures blindly. A significant progression in terms of times and technical scores was observed in both groups between the first and the last evaluations (P between 0.001 and 0.04). Students in group B improved slower and longer than those in group A. However, left and right hands results confused did not highlight significant differences between the two groups. At the third session, the first hand to train is significantly faster in group B than in group A (P=0.04). This study found only a late and minimal impact of complex skills to reduce the execution time of intracorporeal suture. It also showed an slower and longer overall progression for those who use them compared to subjects using basic skills only. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

Antitumor Cell-Complex Vaccines Employing Genetically Modified Tumor Cells and Fibroblasts

Directory of Open Access Journals (Sweden)

Antonio Miguel

2014-02-01

Full Text Available The present study evaluates the immune response mediated by vaccination with cell complexes composed of irradiated B16 tumor cells and mouse fibroblasts genetically modified to produce GM-CSF. The animals were vaccinated with free B16 cells or cell complexes. We employed two gene plasmid constructions: one high producer (pMok and a low producer (p2F. Tumor transplant was performed by injection of B16 tumor cells. Plasma levels of total IgG and its subtypes were measured by ELISA. Tumor volumes were measured and survival curves were obtained. The study resulted in a cell complex vaccine able to stimulate the immune system to produce specific anti-tumor membrane proteins (TMP IgG. In the groups vaccinated with cells transfected with the low producer plasmid, IgG production was higher when we used free B16 cell rather than cell complexes. Nonspecific autoimmune response caused by cell complex was not greater than that induced by the tumor cells alone. Groups vaccinated with B16 transfected with low producer plasmid reached a tumor growth delay of 92% (p ≤ 0.01. When vaccinated with cell complex, the best group was that transfected with high producer plasmid, reaching a tumor growth inhibition of 56% (p ≤ 0.05. Significant survival (40% was only observed in the groups vaccinated with free transfected B16 cells.

Two Discrete RuCp* (Cp*=Pentamethylcyclopentadienyl) Binding Modes of N-Confused Porphyrins: Peripheral π Complex and Sitting Atop Ruthenocenophane Complex by Skeletal Transformation.

Science.gov (United States)

Yamamoto, Takaaki; Mitsuno, Koki; Mori, Shigeki; Itoyama, Shuhei; Shiota, Yoshihito; Yoshizawa, Kazunari; Ishida, Masatoshi; Furuta, Hiroyuki

2018-05-07

Complexation of a RuCp* cation with N-confused tetraarylporphyrins (NCPs) forms directly bound ruthenium(II) pentamethylcyclopentadienyl (Cp*) π-complex on a specific meso-aryl group (e.g., phenyl) neighboring peripheral imino nitrogen of NCPs in high yields. In contrast, in the case of NCPs bearing bulky meso-substituents (e.g., 3,5-di-tert-butylphenyl), new ruthenocenophane-like complex embedded on an N-confused calix[4]phyrin was formed through multiple C-H bond activation of methyl groups of Cp* ligand. The mechanistic insight into the formation of the ruthenocenophane was derived from DFT calculations. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Global aspects of complex geometry

CERN Document Server

Catanese, Fabrizio; Huckleberry, Alan T

2006-01-01

Present an overview of developments in Complex Geometry. This book covers topics that range from curve and surface theory through special varieties in higher dimensions, moduli theory, Kahler geometry, and group actions to Hodge theory and characteristic p-geometry.

HM{sup +}–RG complexes (M = group 2 metal; RG = rare gas): Physical vs. chemical interactions

Energy Technology Data Exchange (ETDEWEB)

Harris, Joe P.; Dodson, Hannah; Wright, Timothy G., E-mail: Tim.Wright@nottingham.ac.uk [School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD (United Kingdom); Breckenridge, W. H. [Department of Chemistry, University of Utah, Salt Lake City, Utah 84112 (United States)

2015-04-21

Previous work on the HM{sup +}–He complexes (M = Be–Ra) has been extended to the cases of the heavier rare gas atoms, HM{sup +}–RG (RG = Ne–Rn). Optimized geometries and harmonic vibrational frequencies have been calculated using MP2 theory and quadruple-ζ quality basis sets. Dissociation energies for the loss of the rare gas atom have been calculated at these optimized geometries using coupled cluster with single and double excitations and perturbative triples, CCSD(T)theory, extrapolating interaction energies to the basis set limit. Comparisons are made between the present data and the previously obtained helium results, as well as to those of the bare HM{sup +} molecules; furthermore, comparisons are made to the related M{sup +}–RG and M{sup 2+}–RG complexes. Partial atomic charge analyses have also been undertaken, and these used to test a simple charge-induced dipole model. Molecular orbital diagrams are presented together with contour plots of the natural orbitals from the quadratic configuration with single and double excitations (QCISD) density. The conclusion is that the majority of these complexes are physically bound, with very little sharing of electron density; however, for M = Be, and to a lesser extent M = Mg, some evidence for chemical effects is seen in HM{sup +}–RG complexes involving RG atoms with the higher atomic numbers.

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

Science.gov (United States)

Timoshkin, Alexey Y; Schaefer, Henry F

2003-08-20

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

Using intervention mapping to develop a theory-driven, group-based complex intervention to support self-management of osteoarthritis and low back pain (SOLAS).

Science.gov (United States)

Hurley, Deirdre A; Murphy, Laura Currie; Hayes, David; Hall, Amanda M; Toomey, Elaine; McDonough, Suzanne M; Lonsdale, Chris; Walsh, Nicola E; Guerin, Suzanne; Matthews, James

2016-04-26

The Medical Research Council framework provides a useful general approach to designing and evaluating complex interventions, but does not provide detailed guidance on how to do this and there is little evidence of how this framework is applied in practice. This study describes the use of intervention mapping (IM) in the design of a theory-driven, group-based complex intervention to support self-management (SM) of patients with osteoarthritis (OA) and chronic low back pain (CLBP) in Ireland's primary care health system. The six steps of the IM protocol were systematically applied to develop the self-management of osteoarthritis and low back pain through activity and skills (SOLAS) intervention through adaptation of the Facilitating Activity and Self-management in Arthritis (FASA) intervention. A needs assessment including literature reviews, interviews with patients and physiotherapists and resource evaluation was completed to identify the programme goals, determinants of SM behaviour, consolidated definition of SM and required adaptations to FASA to meet health service and patient needs and the evidence. The resultant SOLAS intervention behavioural outcomes, performance and change objectives were specified and practical application methods selected, followed by organised programme, adoption, implementation and evaluation plans underpinned by behaviour change theory. The SOLAS intervention consists of six weekly sessions of 90-min education and exercise designed to increase participants' physical activity level and use of evidence-based SM strategies (i.e. pain self-management, pain coping, healthy eating for weight management and specific exercise) through targeting of individual determinants of SM behaviour (knowledge, skills, self-efficacy, fear, catastrophizing, motivation, behavioural regulation), delivered by a trained physiotherapist to groups of up to eight individuals using a needs supportive interpersonal style based on self-determination theory

Macrocyclic bis(ureas as ligands for anion complexation

Directory of Open Access Journals (Sweden)

Claudia Kretschmer

2014-08-01

Full Text Available Two macrocyclic bis(ureas 1 and 2, both based on diphenylurea, have been synthesized. Compound 1 represents the smaller ring with two ethynylene groups as linkers and 2 the larger ring with two butadiynylene groups. On thermal treatment to 130 °C molecule 1 splits up into two dihydroindoloquinolinone (3 molecules. Both compounds 1 and 2 form adducts with polar molecules such as dimethyl sulfoxide (DMSO and dimethylformamide (DMF and act as complexing agents towards a series of anions (Cl−, Br−, I−, NO3−, HSO4−. The crystal structures of 3, 2·2DMSO, 2·2DMF, and of the complex NEt4[Br·2] have been determined. Quantitative investigations of the complexation equilibria were performed via 1H NMR titrations. While 1 is a rather weak complexing agent, the large ring of 2 binds anions with association constants up to log K = 7.93 for chloride ions.

Interactions of Polyhomeotic with Polycomb Group Genes of Drosophila Melanogaster

OpenAIRE

Cheng, N. N.; Sinclair, DAR.; Campbell, R. B.; Brock, H. W.

1994-01-01

The Polycomb (Pc) group genes of Drosophila are negative regulators of homeotic genes, but individual loci have pleiotropic phenotypes. It has been suggested that Pc group genes might form a regulatory hierarchy, or might be members of a multimeric complex that obeys the law of mass action. Recently, it was shown that polyhomeotic (ph) immunoprecipitates in a multimeric complex that includes Pc. Here, we show that duplications of ph suppress homeotic transformations of Pc and Pcl, supporting ...

Nuclear organization of the rock hyrax (Procavia capensis) amygdaloid complex.

Science.gov (United States)

Limacher-Burrell, Aude-Marie; Bhagwandin, Adhil; Gravett, Nadine; Maseko, Busisiwe C; Manger, Paul R

2016-07-01

The current study details the nuclear organization of the rock hyrax amygdaloid complex using both Nissl and myelin stains, along with a range of immunohistochemical stains. The rock hyrax appears to be the least derived of the Afrotherians, a group with a huge range of body phenotypes, life histories and specialized behaviours, brain sizes, and ecological niches. In this sense, the rock hyrax represents a species where the organization of the amygdaloid complex may be reflective of that in stem Eutherian mammals. Our analysis indicates that the nuclear organization of the rock hyrax amygdaloid complex is indeed very similar to that in other mammals studied, with four major nuclear groupings (the deep or basolateral group; the superficial or cortical-like or corticomedial group; the centromedial group; and the other amygdaloid nuclei) being observed, which is typical of Eutherian mammals. Moreover, each of these groupings is composed of several nuclei, the vast majority of which were readily identified in the rock hyrax. Small nuclei identified in rodents and primates were absent in the superficial and centromedial groups, seemingly involved with olfaction. A novel shell-like nucleus of the accessory basal nuclear cluster was observed in the rock hyrax, again, likely to be involved in olfaction. The current study underlines the conserved nature of nuclear parcellation in the Eutherian mammal amygdaloid complex and indicates that across most species, the flow of information processing related to species-specific affective-laden stimuli and the resultant physiological and behavioural outcomes are likely to be similar across species.

Development of implant/interconnected porous hydroxyapatite complex as new concept graft material.

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Kazuya Doi

Full Text Available BACKGROUND: Dental implant has been successfully used to replace missing teeth. However, in some clinical situations, implant placement may be difficult because of a large bone defect. We designed novel complex biomaterial to simultaneously restore bone and place implant. This complex was incorporated implant into interconnected porous calcium hydroxyapatite (IP-CHA. We then tested this Implant/IP-CHA complex and evaluated its effect on subsequent bone regeneration and implant stability in vivo. METHODOLOGY/PRINCIPAL FINDINGS: A cylinder-type IP-CHA was used in this study. After forming inside of the cylinder, an implant was placed inside to fabricate the Implant/IP-CHA complex. This complex was then placed into the prepared bone socket in the femur of four beagle-Labrador hybrid dogs. As a control, implants were placed directly into the femur without any bone substrate. Bone sockets were allowed to heal for 2, 3 and 6 months and implant stability quotients (ISQ were measured. Finally, tissue blocks containing the Implant/IP-CHA complexes were harvested. Specimens were processed for histology and stained with toluidine blue and bone implant contact (BIC was measured. The ISQs of complex groups was 77.8±2.9 in the 6-month, 72.0±5.7 in the 3-month and 47.4±11.0 in the 2-month. There was no significant difference between the 3- or 6-month complex groups and implant control groups. In the 2-month group, connective tissue, including capillary angiogenesis, was predominant around the implants, although newly formed bone could also be observed. While, in the 3 and 6-month groups, newly formed bone could be seen in contact to most of the implant surface. The BICs of complex groups was 2.18±3.77 in the 2-month, 44.03±29.58 in the 3-month, and 51.23±8.25 in the 6-month. Significant difference was detected between the 2 and 6-month. CONCLUSIONS/SIGNIFICANCE: Within the results of this study, the IP-CHA/implant complex might be able to achieve both

Complex adaptive systems ecology

DEFF Research Database (Denmark)

Sommerlund, Julie

2003-01-01

In the following, I will analyze two articles called Complex Adaptive Systems EcologyI & II (Molin & Molin, 1997 & 2000). The CASE-articles are some of the more quirkyarticles that have come out of the Molecular Microbial Ecology Group - a groupwhere I am currently making observational studies....... They are the result of acooperation between Søren Molin, professor in the group, and his brother, JanMolin, professor at Department of Organization and Industrial Sociology atCopenhagen Business School. The cooperation arises from the recognition that bothmicrobial ecology and sociology/organization theory works...

Grouping genetic algorithms advances and applications

CERN Document Server

Mutingi, Michael

2017-01-01

This book presents advances and innovations in grouping genetic algorithms, enriched with new and unique heuristic optimization techniques. These algorithms are specially designed for solving industrial grouping problems where system entities are to be partitioned or clustered into efficient groups according to a set of guiding decision criteria. Examples of such problems are: vehicle routing problems, team formation problems, timetabling problems, assembly line balancing, group maintenance planning, modular design, and task assignment. A wide range of industrial grouping problems, drawn from diverse fields such as logistics, supply chain management, project management, manufacturing systems, engineering design and healthcare, are presented. Typical complex industrial grouping problems, with multiple decision criteria and constraints, are clearly described using illustrative diagrams and formulations. The problems are mapped into a common group structure that can conveniently be used as an input scheme to spe...

Modelling group decision simulation through argumentation

OpenAIRE

Marreiros, Goreti; Novais, Paulo; Machado, José; Ramos, Carlos; Neves, José

2007-01-01

Group decision making plays an important role in today’s organisations. The impact of decision making is so high and complex, that rarely the decision making process is made individually. In Group Decision Argumentation, there is a set of participants, with different profiles and expertise levels, that exchange ideas or engage in a process of argumentation and counter-argumentation, negotiate, cooperate, collaborate or even discuss techniques and/or methodologies for problem solving. In this ...

Benign renal complex cysts: MR imaging

International Nuclear Information System (INIS)

Levy, P.; Helenon, O.; Melki, P.; Paraf, F.; Chauveau, D.; Chretien, Y.; Moreau, J.F.

1994-01-01

The aim of this study was to assess the magnetic resonance imaging (MRI) characteristics of 13 benign complex renal cysts using T1 and T2-weighted images and contrast-enhanced images. The results have been compared to CT and ultrasonographic findings in all cases and correlated with histopathologic datas in 12 cases. Five groups have been defined according to the MR features. Group 1: homogeneous low signal intensity on T1-weighted images and homogeneous high signal intensity on T2-weighted images mimicking simple cyst (n = 2); group 2: homogeneous high signal intensity on both T1 and T2-weighted images mimicking hemorrhagic cyst (n = 1); group 3: characterized by high signal intensity on T1-weighted images and fluid-iron level on T2-weighted images (n = 3); group 4: characterized by fluid-iron level on both T1 and T2-weighted images (n = 3); group 5: pseudotumoral feature: heterogeneous signal intensity and/or wall contrast enhancement (n = 3). Among the 13 indeterminate lesions on ultrasonography and CT, MRI was of diagnostic value in 8 cases, whereas the 5 remaining cases remained indeterminate on MR images. Our results suggest that MRI can be useful in the diagnosis of benign complex cyst of the kidney presenting as indeterminate cystic lesion on other modalities. (authors). 40 refs., 7 figs., 2 tabs

Homogeneous group, research, institution

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Francesca Natascia Vasta

2014-09-01

Full Text Available The work outlines the complex connection among empiric research, therapeutic programs and host institution. It is considered the current research state in Italy. Italian research field is analyzed and critic data are outlined: lack of results regarding both the therapeutic processes and the effectiveness of eating disorders group analytic treatment. The work investigates on an eating disorders homogeneous group, led into an eating disorder outpatient service. First we present the methodological steps the research is based on including the strong connection among theory and clinical tools. Secondly clinical tools are described and the results commented. Finally, our results suggest the necessity of validating some more specifical hypothesis: verifying the relationship between clinical improvement (sense of exclusion and painful emotions reduction and specific group therapeutic processes; verifying the relationship between depressive feelings, relapses and transition trough a more differentiated groupal field.Keywords: Homogeneous group; Eating disorders; Institutional field; Therapeutic outcome

Genomic and Genetic Diversity within the Pseudomonas fluorescens Complex.

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Daniel Garrido-Sanz

Full Text Available The Pseudomonas fluorescens complex includes Pseudomonas strains that have been taxonomically assigned to more than fifty different species, many of which have been described as plant growth-promoting rhizobacteria (PGPR with potential applications in biocontrol and biofertilization. So far the phylogeny of this complex has been analyzed according to phenotypic traits, 16S rDNA, MLSA and inferred by whole-genome analysis. However, since most of the type strains have not been fully sequenced and new species are frequently described, correlation between taxonomy and phylogenomic analysis is missing. In recent years, the genomes of a large number of strains have been sequenced, showing important genomic heterogeneity and providing information suitable for genomic studies that are important to understand the genomic and genetic diversity shown by strains of this complex. Based on MLSA and several whole-genome sequence-based analyses of 93 sequenced strains, we have divided the P. fluorescens complex into eight phylogenomic groups that agree with previous works based on type strains. Digital DDH (dDDH identified 69 species and 75 subspecies within the 93 genomes. The eight groups corresponded to clustering with a threshold of 31.8% dDDH, in full agreement with our MLSA. The Average Nucleotide Identity (ANI approach showed inconsistencies regarding the assignment to species and to the eight groups. The small core genome of 1,334 CDSs and the large pan-genome of 30,848 CDSs, show the large diversity and genetic heterogeneity of the P. fluorescens complex. However, a low number of strains were enough to explain most of the CDSs diversity at core and strain-specific genomic fractions. Finally, the identification and analysis of group-specific genome and the screening for distinctive characters revealed a phylogenomic distribution of traits among the groups that provided insights into biocontrol and bioremediation applications as well as their role as

Actinides and rare earths complexation with adenosine phosphate nucleotides

International Nuclear Information System (INIS)

Mostapha, Sarah

2013-01-01

Organophosphorus compounds are important molecules in both nuclear industry and living systems fields. Indeed, several extractants of organophosphorus compounds (such as TBP, HDEHP) are used in the nuclear fuel cycle reprocessing and in the biological field. For instance, the nucleotides are organophosphates which play a very important role in various metabolic processes. Although the literature on the interactions of actinides with inorganic phosphate is abundant, published studies with organophosphate compounds are generally limited to macroscopic and / or physiological approaches. The objective of this thesis is to study the structure of several organophosphorus compounds with actinides to reach a better understanding and develop new specific buildings blocks. The family of the chosen molecules for this procedure consists of three adenine nucleotides mono, bi and triphosphate (AMP, adenosine monophosphate - ADP, adenosine diphosphate - ATP, adenosine triphosphate) and an amino-alkylphosphate (AEP O-phosphoryl-ethanolamine). Complexes synthesis was conducted in aqueous and weakly acidic medium (2.8-4) for several lanthanides (III) (Lu, Yb, Eu) and actinides (U (VI), Th (IV) and Am (III)). Several analytical and spectroscopic techniques have been used to describe the organization of the synthesized complexes: spectrometric analysis performed by FTIR and NMR were used to identify the functional groups involved in the complexation, analysis by ESI-MS and pH-metric titration were used to determine the solution speciation and EXAFS analyzes were performed on Mars beamline of the SOLEIL synchrotron, have described the local cation environment, for both solution and solid compounds. Some theoretical approaches of DFT were conducted to identify stable structures in purpose of completing the experimental studies. All solid complexes (AMP, ADP, ATP and AEP) have polynuclear structures, while soluble ATP complexes are mononuclear. For all synthesized complexes, it has been

Comparative effect of carotenoid complex from golden neo-life ...

African Journals Online (AJOL)

Summary: The immunomodulatory effect of Carotenoid complex from Golden Neo-Life Dynamite (GNLD) and carrot extracted Carotenoid was assessed using 24 albino Wistar rats. The rats were assigned to 4 groups of 6 rats each consisting of group 1(control group treated with distilled water), group 2 (treated with olive oil) ...

Exceptional gauge groups and quantum theory

International Nuclear Information System (INIS)

Horwitz, L.P.; Biedenharn, L.C.

1979-01-01

It is shown that a Hilbert space over the real Clifford algebra C 7 provides a mathematical framework, consistent with the structure of the usual quantum mechanical formalism, for models for the unification of weak, electromagnetic and strong interactions utilizing the exceptional Lie groups. In particular, in case no further structure is assumed beyond that of C 7 , the group of automorphisms leaving invariant a minimal subspace acts, in the ideal generated by that subspace, as G 2 , and the subgroup of this group leaving one generating element (e 7 ) fixed acts, in this ideal, as the color gauge group SU(3). A generalized phase algebra AcontainsC 7 is defined by the requirement that quantum mechanical states can be consistently constructed for a theory in which the smallest linear manifolds are closed over the subalgebra C(1,e 7 ) (isomorphic to the complex field) of C 7 . Eight solutions are found for the generalized phase algebra, corresponding (up to an overall sign), in effect, to the use of +- e 7 as imaginary unit in each of four superselection sectors. Operators linear over these alternative forms of imanary unit provide distinct types of ''lepton--quark'' and ''quark--quark'' transitions. The subgroup in A which leaves expectation values of operators linear over A invariant is its unitary subgroup U(4), and is a realization (explicitly constructed) of the U(4) invariance of the complex scalar product. An embedding of the algebraic Hilbert space into the complex space defined over C(1,e 7 ) is shown to lead to a decomposition into ''lepton and ''quark'' superselection subspaces. The color SU(3) subgroup of G 2 coincides with the SU(3) subgroup of the generalized phase U(4) which leaves the ''lepton'' space invariant. The problem of constructing tensor products is studied, and some remarks are made on observability and the role of nonassociativity

NMR studies of structures of lanthanide dicarboxylate complexes in solution

International Nuclear Information System (INIS)

Choppin, G.R.; Kullberg, L.

PMR pand 13 C shift data were measured for complexes of Pr(III), Eu(III) and Yb(III) with ethylene 1,2-dioxydiacetate (EDODA), ethylene 1,2-dithiodiacetate (EDSDA), and ethylene, 1,2-diaminodiacetate (EDDA). Solubility problems limited analysis of the EDSDA and EDDA data to qualitative evaluation. In the EDSDA complexes, the data indicate that the sulfur atoms do not participate in bonding to the lanthanide cations. Moreover, both carboxylate groups seem to bind Pr and Eu while Yb interacts with only a single carboxylate group. The EDDA complexes are tetradentate with long lived (NMR scale) Ln-N bonds. Shift theory allowed more quantitative analysis of the EDODA complexes. They are tetradentate with a puckered chelate ring and Ln-O(ether) distances of 2.3 A

Synthesis, characterization, and reactivity of a uranium(VI) carbene imido oxo complex

Energy Technology Data Exchange (ETDEWEB)

Lu, Erli; Cooper, Oliver J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. [Nottingham Univ. (United Kingdom). School of Chemistry; Tuna, Floriana; McInnes, Eric J.L. [Manchester Univ. (United Kingdom). School of Chemistry and Photon Science Inst.

2014-06-23

We report the uranium(VI) carbene imido oxo complex [U(BIPM{sup TMS})(NMes)(O)(DMAP){sub 2}] (5, BIPM{sup TMS}=C(PPh{sub 2}NSiMe{sub 3}){sub 2}; Mes=2,4,6-Me{sub 3}C{sub 6}H{sub 2}; DMAP=4-(dimethylamino)pyridine) which exhibits the unprecedented arrangement of three formal multiply bonded ligands to one metal center where the coordinated heteroatoms derive from different element groups. This complex was prepared by incorporation of carbene, imido, and then oxo groups at the uranium center by salt elimination, protonolysis, and two-electron oxidation, respectively. The oxo and imido groups adopt axial positions in a T-shaped motif with respect to the carbene, which is consistent with an inverse trans-influence. Complex 5 reacts with tert-butylisocyanate at the imido rather than carbene group to afford the uranyl(VI) carbene complex [U(BIPM{sup TMS})(O){sub 2}(DMAP){sub 2}] (6).

Synthesis, spectral and third-order nonlinear optical properties of terpyridine Zn(II) complexes based on carbazole derivative with polyether group

Science.gov (United States)

Kong, Ming; Liu, Yanqiu; Wang, Hui; Luo, Junshan; Li, Dandan; Zhang, Shengyi; Li, Shengli; Wu, Jieying; Tian, Yupeng

2015-01-01

Four novel Zn(II) terpyridine complexes (ZnLCl2, ZnLBr2, ZnLI2, ZnL(SCN)2) based on carbazole derivative group were designed, synthesized and fully characterized. Their photophysical properties including absorption and one-photon excited fluorescence, two-photon absorption (TPA) and optical power limiting (OPL) were further investigated systematically and interpreted on the basis of theoretical calculations (TD-DFT). The influences of different solvents on the absorption and One-Photon Excited Fluorescence (OPEF) spectral behavior, quantum yields and the lifetime of the chromophores have been investigated in detail. The third-order nonlinear optical (NLO) properties were investigated by open/closed aperture Z-scan measurements using femtosecond pulse laser in the range from 680 to 1080 nm. These results revealed that ZnLCl2 and ZnLBr2 exhibited strong two-photon absorption and ZnLCl2 showed superior optical power limiting property.

Uranyl tris-beta-diketonate complexes

International Nuclear Information System (INIS)

Sidorenko, G.V.; Adamov, V.M.; Shcherbakova, L.L.; Suglubov, D.N.

1986-01-01

Uranyl tris-pivaloyltrifluoroacetonates (M/IOTA/UO 2 L 3 ; M/IOTA/ = Na, K, Cs, 1/2Ba, NR 4 ; R = C 8 H 17 ) and tris-dipivaloylmethanate (M/IOTA/UO 2 L/IOTA/ 3 , M/IOTA/ = K) have been synthesized for the first time. The compounds were characterized by chemical analysis and IR, NMR, and mass spectra. NaUO 2 L 3 , KUO 2 L 3 , CsUO 2 L 3 and Ba(UO 2 ) 2 L 6 sublime in high vacuum with partial decomposition. Specifically, decomposition gives UL 4 , identified by mass spectrometry. All the tris-complexes except those with outer-sphere NR 4 cation are characterized by an asymmetric structure of the uranyl group, recorded by IR spectroscopy using isotopic substitution of 18 O in uranyl. NMR spectra of the tris-complexes indicate the equivalence of all beta-diketonate groups, i.e., a coordination number of six for uranyl

Thermodynamic properties of actinide complexes

International Nuclear Information System (INIS)

Bismondo, A.; Cassol, A.; Di Bernardo, P.; Magon, L.; Tomat, G.; Consiglio Nazionale delle Ricerche, Padua

1981-01-01

In a previous paper the stability constants and the enthalpies of formation of uranyl(VI)-malonate complexes in 1 M Na(ClO 4 ) and at 25.0 0 C, have been reported. In order to assess the influence of the number of methylenic groups in the ligand chain on the stability constants of the formed complexes and on their ΔH and ΔS values, a series of potentiometric and calorimetric investigations were carried out on the uranyl(VI)-succinate system. The results are given and discussed. (author)

Symbolic Play in Mixed-Age and Same-Age Groups.

Science.gov (United States)

Umek, Ljubica Marjanovic; Musek, Petra Lesnik

1997-01-01

Investigated the content, degree of complexity, and wholeness of the transformation in symbolic play among same-age and mixed-age groups of 4- to 7-year olds in Slovenia. Results confirm that, in mixed-age groups, the role definition in symbolic play is provided on a higher level than in same-age groups, which enables social imaginative play to…

Immune complexes, gallium lung scans, and bronchoalveolar lavage in idiopathic interstitial pneumonitis-fibrosis

International Nuclear Information System (INIS)

Gelb, A.F.; Dreisen, R.B.; Epstein, J.D.; Silverthorne, J.D.; Bickel, Y.; Fields, M.; Border, W.A.; Taylor, C.R.

1983-01-01

We obtained results of lung immune complexes (LIC), circulating immune complexes (CIC), 48-hour gallium lung scans (scans), bronchoalveolar lavage (BAL), and pulmonary function tests in 20 patients with idiopathic interstitial pneumonitis-fibrosis. Sixteen patients had predominantly interstitial (13 cases UIP) and/or intraalveolar (3 cases DIP) cellular disease (group 1). Prior to corticosteroid therapy in group 1, scans were positive in 75 percent, CIC were elevated in 86 percent, LIC were present in 64 percent, and BAL was abnormal in 90 percent. Duration of follow-up after treatment was 3.5 +/- 1.0 year. In group 1 after treatment with corticosteroids in 13 patients and corticosteroids and penicillamine (three patients) and plasmapheresis (one patient), only four patients remain stable or improved. After corticosteroid therapy, elevated CIC returned to normal values despite progressive patient deterioration. In three patients, lung immune complexes were still detected after circulating immune complexes had returned to normal after corticosteroid therapy. In group 2 were four patients with fibrotic disease; scans and CIC were uniformly negative, LIC were weakly present in only one patient, and BAL was abnormal in all. Despite corticosteroid therapy, all have died or deteriorated. These results suggest that positive gallium lung scans, BAL, circulating immune complexes, and to a lesser extent, lung immune complexes are associated with the cellular phase of interstitial pneumonia, but do not reliably identify a corticosteroid-responsive group

Nonlinear complexity analysis of brain FMRI signals in schizophrenia.

Directory of Open Access Journals (Sweden)

Moses O Sokunbi

Full Text Available We investigated the differences in brain fMRI signal complexity in patients with schizophrenia while performing the Cyberball social exclusion task, using measures of Sample entropy and Hurst exponent (H. 13 patients meeting diagnostic and Statistical Manual of Mental Disorders, 4th Edition (DSM IV criteria for schizophrenia and 16 healthy controls underwent fMRI scanning at 1.5 T. The fMRI data of both groups of participants were pre-processed, the entropy characterized and the Hurst exponent extracted. Whole brain entropy and H maps of the groups were generated and analysed. The results after adjusting for age and sex differences together show that patients with schizophrenia exhibited higher complexity than healthy controls, at mean whole brain and regional levels. Also, both Sample entropy and Hurst exponent agree that patients with schizophrenia have more complex fMRI signals than healthy controls. These results suggest that schizophrenia is associated with more complex signal patterns when compared to healthy controls, supporting the increase in complexity hypothesis, where system complexity increases with age or disease, and also consistent with the notion that schizophrenia is characterised by a dysregulation of the nonlinear dynamics of underlying neuronal systems.

Prediction of complexes of uranyl and organic substances by molecular orbital calculation

International Nuclear Information System (INIS)

Nagasaki, S.; Tsushima, S.; Todoriki, M.; Tanaka, S.; Suzuki, A.

1999-01-01

Structure of UO 2 2+ complexes with salicylic acid was optimized by using molecular orbital calculation (ab initio method). The bond distances between U and O atoms (O eq ) of carboxyl group and phenyl group in salicylic acid were evaluated and compared with those measured experimentally by Denecke et al. The calculated distance relatively agrees with the experimental one. The frontier electron densities in the complexes were also calculated. Strong localization of frontier electron density in the complexes was not observed, suggesting that the complexes are subject to only weak interactions with rocks, minerals and other compounds in the geosphere. (author)

Records Group. The problem of fonds in the American archival studies

Directory of Open Access Journals (Sweden)

Bartosz Nowożycki

2017-12-01

Full Text Available The term record group means a group of fonds (records and it is a type of archival fonds rarely described in Polish archival literature. Most often it is associated with the complex archival fonds, due to its comlicated structure and blurred borderlines – an effect of administrative system varying from the Polish one. The post-war attempts to modify and broaden the meaning of the complex fonds caused its resemblance to the term record group. Irena Radtke in her paper given during the 6th Archival Methods Conference in Warsaw in 1970 proposed, that the complex fonds should be one comprising records of foreign provenance that are an effect of passive succession. Bohdan Ryszewski, addressing Radtke’s idea, noticed that passive succession might be a source of complications. However, this conceptualization of the definition of the complex fonds did not correspond with the American understanding of it as an above-fonds structure.Bogdan Kroll has touched the core of the problem; he noticed that an archival construction comprising materials of various provenances cannot be seen neither as an archival fonds, nor as a complex fonds. He saw a discrepancy between the structure and partition of archival holdings and archival theory; thus Kroll proposed abandoning the term complex fonds and implementation of the term archival complex. The archival complex was supposed to be archival materials of various origins merged (in or outside of an archive into fonds, or parts of archival fonds of different institutions having the same characteristic – function. The complex was supposed to make up a separate entity in logic structure of archival holdings, comprising of all archival fonds and/or their pieces being parts of the main fonds of the complex. The problem of lack of above-fonds forms in the Polish archival theory has been also noticed by Józef Siemieński, who has formulated the term of higher-order fonds. According to his idea the higher

A phylogenetic delimitation of the "Sphagnum subsecundum complex" (Sphagnaceae, Bryophyta).

Science.gov (United States)

Shaw, A Jonathan; Boles, Sandra; Shaw, Blanka

2008-06-01

A seemingly obvious but sometimes overlooked premise of any evolutionary analysis is delineating the group of taxa under study. This is especially problematic in some bryophyte groups because of morphological simplicity and convergence. This research applies information from nucleotide sequences for eight plastid and nuclear loci to delineate a group of northern hemisphere peat moss species, the so-called Sphagnum subsecundum complex, which includes species known to be gametophytically haploid or diploid (i.e., sporophytically diploid-tetraploid). Despite the fact that S. subsecundum and several species in the complex have been attributed disjunct ranges that include all major continents, phylogenetic analyses suggest that the group is actually restricted to Europe and eastern North America. Plants from western North America, from California to Alaska, which are morphologically similar to species of the S. subsecundum complex in eastern N. America and Europe, actually belong to a different deep clade within Sphagnum section Subsecunda. One species often considered part of the S. subsecundum complex, S. contortum, likely has a reticulate history involving species in the two deepest clades within section Subsecunda. Nucleotide sequences have a strong geographic structure across the section Subsecunda, but shallow tip clades suggest repeated long-distance dispersal in the section as well.

Lessons Learned from Crowdsourcing Complex Engineering Tasks.

Science.gov (United States)

Staffelbach, Matthew; Sempolinski, Peter; Kijewski-Correa, Tracy; Thain, Douglas; Wei, Daniel; Kareem, Ahsan; Madey, Gregory

2015-01-01

Crowdsourcing is the practice of obtaining needed ideas, services, or content by requesting contributions from a large group of people. Amazon Mechanical Turk is a web marketplace for crowdsourcing microtasks, such as answering surveys and image tagging. We explored the limits of crowdsourcing by using Mechanical Turk for a more complicated task: analysis and creation of wind simulations. Our investigation examined the feasibility of using crowdsourcing for complex, highly technical tasks. This was done to determine if the benefits of crowdsourcing could be harnessed to accurately and effectively contribute to solving complex real world engineering problems. Of course, untrained crowds cannot be used as a mere substitute for trained expertise. Rather, we sought to understand how crowd workers can be used as a large pool of labor for a preliminary analysis of complex data. We compared the skill of the anonymous crowd workers from Amazon Mechanical Turk with that of civil engineering graduate students, making a first pass at analyzing wind simulation data. For the first phase, we posted analysis questions to Amazon crowd workers and to two groups of civil engineering graduate students. A second phase of our experiment instructed crowd workers and students to create simulations on our Virtual Wind Tunnel website to solve a more complex task. With a sufficiently comprehensive tutorial and compensation similar to typical crowd-sourcing wages, we were able to enlist crowd workers to effectively complete longer, more complex tasks with competence comparable to that of graduate students with more comprehensive, expert-level knowledge. Furthermore, more complex tasks require increased communication with the workers. As tasks become more complex, the employment relationship begins to become more akin to outsourcing than crowdsourcing. Through this investigation, we were able to stretch and explore the limits of crowdsourcing as a tool for solving complex problems.

Ultraviolet light-denatured DNA/anti-ultraviolet light-denatured DNA immune-complex nephritis in rabbits

International Nuclear Information System (INIS)

Sweny, P.

1980-01-01

Two groups of preimmunized rabbits were studied during a 3-month course of daily intravenous injections of uv DNA in amounts sufficient to neuralize circulating antibody. One group was given high-molecular-weight uv DNA, and the other group, US uv DNA. Rabbits receiving US uv DNA formed potentially more damaging immune complexes, since this group of animals developed greater rises in blood urea and greater falls in C3. Both groups of animals developed evidence of immune complex-mediated glomerular nephritis as evidenced by heavy granular deposits of IgG and C3 in the glomeruli. The results suggest that immune complexes formed with US uv DNA may be more nephrotoxic

Symmetry analysis in parametrisation of complex systems

International Nuclear Information System (INIS)

Sikora, W; Malinowski, J

2010-01-01

The symmetry analysis method based on the theory of group representations is used for description of complex systems and their behavior in this work. The first trial of using the symmetry analysis in modeling of behavior of complex social system is presented. The evacuation of large building scenarios are discussed as transition from chaotic to ordered states, described as movements of individuals according to fields of displacements, calculated correspondingly to given scenario. The symmetry of the evacuation space is taken into account in calculation of displacements field - the displacements related to every point of this space are presented in the coordinate frame in the best way adapted to given symmetry space group, which is the set of basic vectors of irreducible representation of given symmetry group. The results got with using the symmetry consideration are compared with corresponding results calculated under assumption of shortest way to exits (Voronoi assumption).

Symmetry analysis in parametrisation of complex systems

Energy Technology Data Exchange (ETDEWEB)

Sikora, W; Malinowski, J, E-mail: sikora@novell.ftj.agh.edu.p [Faculty of Physics and Applied Computer Science, AGH - University of Science and Technology, Al. Mickiewicza 30, 30-059 Krakow (Poland)

2010-03-01

The symmetry analysis method based on the theory of group representations is used for description of complex systems and their behavior in this work. The first trial of using the symmetry analysis in modeling of behavior of complex social system is presented. The evacuation of large building scenarios are discussed as transition from chaotic to ordered states, described as movements of individuals according to fields of displacements, calculated correspondingly to given scenario. The symmetry of the evacuation space is taken into account in calculation of displacements field - the displacements related to every point of this space are presented in the coordinate frame in the best way adapted to given symmetry space group, which is the set of basic vectors of irreducible representation of given symmetry group. The results got with using the symmetry consideration are compared with corresponding results calculated under assumption of shortest way to exits (Voronoi assumption).

Communication complexity and information complexity

Science.gov (United States)

Pankratov, Denis

Information complexity enables the use of information-theoretic tools in communication complexity theory. Prior to the results presented in this thesis, information complexity was mainly used for proving lower bounds and direct-sum theorems in the setting of communication complexity. We present three results that demonstrate new connections between information complexity and communication complexity. In the first contribution we thoroughly study the information complexity of the smallest nontrivial two-party function: the AND function. While computing the communication complexity of AND is trivial, computing its exact information complexity presents a major technical challenge. In overcoming this challenge, we reveal that information complexity gives rise to rich geometrical structures. Our analysis of information complexity relies on new analytic techniques and new characterizations of communication protocols. We also uncover a connection of information complexity to the theory of elliptic partial differential equations. Once we compute the exact information complexity of AND, we can compute exact communication complexity of several related functions on n-bit inputs with some additional technical work. Previous combinatorial and algebraic techniques could only prove bounds of the form theta( n). Interestingly, this level of precision is typical in the area of information theory, so our result demonstrates that this meta-property of precise bounds carries over to information complexity and in certain cases even to communication complexity. Our result does not only strengthen the lower bound on communication complexity of disjointness by making it more exact, but it also shows that information complexity provides the exact upper bound on communication complexity. In fact, this result is more general and applies to a whole class of communication problems. In the second contribution, we use self-reduction methods to prove strong lower bounds on the information

Non-rigid molecular group theory and its applications

International Nuclear Information System (INIS)

Balasubramanian, K.

1982-06-01

The use of generalized wreath product groups as representations of symmetry groups of nonrigid molecules is considered. Generating function techniques are outlined for nuclear spin statistics and character tables of the symmetry groups of nonrigid molecules. Several applications of nonrigid molecular group theory to NMR spectroscopy, rovibronic splitting and nuclear spin statistics of nonrigid molecules, molecular beam deflection and electric resonance experiments of weakly bound Van der Waal complexes, isomerization processes, configuration interaction calculations and the symmetry of crystals with structural distortions are described. 81 references

Group 5 Pulmonary Hypertension: The Orphan's Orphan Disease.

Science.gov (United States)

Kalantari, Sara; Gomberg-Maitland, Mardi

2016-08-01

Pulmonary hypertension is a complex disorder with multiple etiologies; the World Health Organization classification system divides pulmonary hypertension patients into 5 groups based on the underlying cause and mechanism. Group 5 pulmonary hypertension is a heterogeneous group of diseases that encompasses pulmonary hypertension secondary to multifactorial mechanisms. For many of the diseases, the true incidence, etiology, and treatment remain uncertain. This article reviews the epidemiology, pathogenesis, and management of many of the group 5 pulmonary hypertension disease states. Copyright © 2016 Elsevier Inc. All rights reserved.

Unpacking the Complexity of Planning with Persons with Cognitive Disability and Complex Support Needs

Science.gov (United States)

Collings, Susan; Dew, Angela; Dowse, Leanne

2018-01-01

Background: Planners will engage with people with cognitive disability and complex support needs in the Australian National Disability Insurance Scheme, but the specific skills needed to build sustainable plans with this group are not yet known. Method: A qualitative study was conducted to explore the barriers and facilitators to planning with…

7th Workshop on Complex Networks

CERN Document Server

Gonçalves, Bruno; Menezes, Ronaldo; Sinatra, Roberta

2016-01-01

The last decades have seen the emergence of Complex Networks as the language with which a wide range of complex phenomena in fields as diverse as Physics, Computer Science, and Medicine (to name just a few) can be properly described and understood. This book provides a view of the state of the art in this dynamic field and covers topics ranging from network controllability, social structure, online behavior, recommendation systems, and network structure. This book includes the peer-reviewed list of works presented at the 7th Workshop on Complex Networks CompleNet 2016 which was hosted by the Université de Bourgogne, France, from March 23-25, 2016. The 28 carefully reviewed and selected contributions in this book address many topics related to complex networks and have been organized in seven major groups: (1) Theory of Complex Networks, (2) Multilayer networks, (3) Controllability of networks, (4) Algorithms for networks, (5) Community detection, (6) Dynamics and spreading phenomena on networks, (7) Applicat...

Systemic inflammatory mediators in post-traumatic complex regional pain syndrome (CRPS I) - longitudinal investigations and differences to control groups.

Science.gov (United States)

Schinkel, Christian; Scherens, A; Köller, M; Roellecke, G; Muhr, G; Maier, C

2009-03-17

The Complex Regional Pain Syndrome I (CRPS I) is a disease that might affect an extremity after trauma or operation. The pathogenesis remains yet unclear. It has clinical signs of severe local inflammation as a result of an exaggerated inflammatory response but neurogenic dysregulation also contributes to it. Some studies investigated the role inflammatory mediators and cytokines; however, few longitudinal studies exist and control groups except healthy controls were not investigated yet. To get further insights into the role of systemic inflammatory mediators in CRPS I, we investigated a variety of pro-, anti-, or neuro-inflammatory mediators such as C-Reactive Protein (CRP), White Blood Cell Count (WBC), Interleukins 4, 6, 8, 10, 11, 12 (p70), Interferon gamma, Tumor-Necrosis-Factor alpha (TNF-a) and its soluble Receptors I/II, soluble Selectins (E,L,P), Substance-P (SP), and Calcitonin Gene-Related Peptide (CGRP) at different time points in venous blood from patients with acute (AC) and chronic (CC) CRPS I, patients with forearm fractures (FR), with neuralgia (NE), and from healthy volunteers (C). No significant changes for serum parameters investigated in CRPS compared to control groups were found except for CC/C (CGRP p = 0.007), FR/C (CGRP p = 0.048) and AC/CC (IL-12 p = 0.02; TNFRI/II p = 0.01; SP p = 0.049). High interindividual variations were observed. No intra- or interindividual correlation of parameters with clinical course (e.g. chronification) or outcome was detectable. Although clinically appearing as inflammation in acute stages, local rather than systemic inflammatory responses seem to be relevant in CRPS. Variable results from different studies might be explained by unpredictable intermittent release of mediators from local inflammatory processes into the blood combined with high interindividual variabilities. A clinically relevant difference to various control groups was not notable in this pilot study. Determination of systemic inflammatory

Systemic inflammatory mediators in post-traumatic Complex Regional Pain Syndrome (CRPS I - longitudinal investigations and differences to control groups

Directory of Open Access Journals (Sweden)

Schinkel Ch

2009-03-01

Full Text Available Abstract Objectives The Complex Regional Pain Syndrome I (CRPS I is a disease that might affect an extremity after trauma or operation. The pathogenesis remains yet unclear. It has clinical signs of severe local inflammation as a result of an exaggerated inflammatory response but neurogenic dysregulation also contributes to it. Some studies investigated the role inflammatory mediators and cytokines; however, few longitudinal studies exist and control groups except healthy controls were not investigated yet. Methods To get further insights into the role of systemic inflammatory mediators in CRPS I, we investigated a variety of pro-, anti-, or neuro-inflammatory mediators such as C-Reactive Protein (CRP, White Blood Cell Count (WBC, Interleukins 4, 6, 8, 10, 11, 12 (p70, Interferon gamma, Tumor-Necrosis-Factor alpha (TNF-α and its soluble Receptors I/II, soluble Selectins (E, L, P, Substance-P (SP, and Calcitonin Gene-Related Peptide (CGRP at different time points in venous blood from patients with acute (AC and chronic (CC CRPS I, patients with forearm fractures (FR, with neuralgia (NE, and from healthy volunteers (C. Results No significant changes for serum parameters investigated in CRPS compared to control groups were found except for CC/C (CGRP p = 0.007, FR/C (CGRP p = 0.048 and AC/CC (IL-12 p = 0.02; TNFRI/II p = 0.01; SP p = 0.049. High interindividual variations were observed. No intra-or interindividual correlation of parameters with clinical course (e.g. chronification or outcome was detectable. Conclusion Although clinically appearing as inflammation in acute stages, local rather than systemic inflammatory responses seem to be relevant in CRPS. Variable results from different studies might be explained by unpredictable intermittent release of mediators from local inflammatory processes into the blood combined with high interindividual variabilities. A clinically relevant difference to various control groups was not notable in this

Agent Based Simulation of Group Emotions Evolution and Strategy Intervention in Extreme Events

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Bo Li

2014-01-01

Full Text Available Agent based simulation method has become a prominent approach in computational modeling and analysis of public emergency management in social science research. The group emotions evolution, information diffusion, and collective behavior selection make extreme incidents studies a complex system problem, which requires new methods for incidents management and strategy evaluation. This paper studies the group emotion evolution and intervention strategy effectiveness using agent based simulation method. By employing a computational experimentation methodology, we construct the group emotion evolution as a complex system and test the effects of three strategies. In addition, the events-chain model is proposed to model the accumulation influence of the temporal successive events. Each strategy is examined through three simulation experiments, including two make-up scenarios and a real case study. We show how various strategies could impact the group emotion evolution in terms of the complex emergence and emotion accumulation influence in extreme events. This paper also provides an effective method of how to use agent-based simulation for the study of complex collective behavior evolution problem in extreme incidents, emergency, and security study domains.

Monoanionic 99mTc-tricarbonyl-aminopolycarboxylate complexes with uncharged pendant groups: Radiosynthesis and evaluation as potential renal tubular tracers.

Science.gov (United States)

Lipowska, Malgorzata; Klenc, Jeffrey; Jarkas, Nashwa; Marzilli, Luigi G; Taylor, Andrew T

2017-04-01

99m Tc(CO) 3 -nitrilotriacetic acid, 99m Tc(CO) 3 (NTA), is a new renal tubular agent with pharmacokinetic properties comparable to those of 131 I-OIH but the clearance of 99m Tc(CO) 3 (NTA) and 131 I-OIH is still less than the clearance of PAH, the gold standard for the measurement of effective renal plasma flow. At physiological pH, dianionic 99m Tc(CO) 3 (NTA) has a mononegative inner metal-coordination sphere and a mononegative uncoordinated carboxyl group. To evaluate alternate synthetic approaches, we assessed the importance of an uncoordinated carboxyl group, long considered essential for tubular transport, by evaluating the pharmacokinetics of three analogs with the 99m Tc(CO) 3 (NTA) metal-coordination sphere but with uncharged pendant groups. 99m Tc(CO) 3 complexes with N-(2-acetamido)iminodiacetic acid (ADA), N-(2-hydroxyethyl)iminodiacetic acid (HDA) and N-(fluoroethyl)iminodiacetic acid (FEDA) were prepared using a tricarbonyl kit and isolated by HPLC. The pharmacokinetics were evaluated in Sprague-Dawley rats, with 131 I-OIH as an internal control; urine was analyzed for metabolites. Plasma protein binding and erythrocyte uptake were determined from the 10min blood samples. Re(CO) 3 (FEDA), the analog of 99m Tc(CO) 3 (FEDA), was prepared and characterized. 99m Tc(CO) 3 (ADA), 99m Tc(CO) 3 (HDA) and 99m Tc(CO) 3 (FEDA) were efficiently prepared as a single species with high radiochemical purities (>99%). These new monoanionic 99m Tc(CO) 3 tracers with uncharged dangling groups all showed rapid blood clearance and high specificity for renal excretion. Activity in the urine, as a percent of 131 I-OIH at 10 and 60min, was 96% and 99% for ADA, 96% and 100% for HDA, and 100% and 99% for FEDA, respectively. Each new tracer was excreted unchanged in the urine. The Re(CO) 3 (FEDA) structure adds compelling evidence that such 99m Tc(CO) 3 (NTA) analogs have metal-coordination spheres identical to that of 99m Tc(CO) 3 (NTA). New tracers lacking the negatively

Monoanionic 99mTc-tricarbonyl-aminopolycarboxylate complexes with uncharged pendant groups: Radiosynthesis and evaluation as potential renal tubular tracers

International Nuclear Information System (INIS)

Lipowska, Malgorzata; Klenc, Jeffrey; Jarkas, Nashwa; Marzilli, Luigi G.; Taylor, Andrew T.

2017-01-01

Introduction: 99m Tc(CO) 3 -nitrilotriacetic acid, 99m Tc(CO) 3 (NTA), is a new renal tubular agent with pharmacokinetic properties comparable to those of 131 I-OIH but the clearance of 99m Tc(CO) 3 (NTA) and 131 I-OIH is still less than the clearance of PAH, the gold standard for the measurement of effective renal plasma flow. At physiological pH, dianionic 99m Tc(CO) 3 (NTA) has a mononegative inner metal-coordination sphere and a mononegative uncoordinated carboxyl group. To evaluate alternate synthetic approaches, we assessed the importance of an uncoordinated carboxyl group, long considered essential for tubular transport, by evaluating the pharmacokinetics of three analogs with the 99m Tc(CO) 3 (NTA) metal-coordination sphere but with uncharged pendant groups. Methods: 99m Tc(CO) 3 complexes with N-(2-acetamido)iminodiacetic acid (ADA), N-(2-hydroxyethyl)iminodiacetic acid (HDA) and N-(fluoroethyl)iminodiacetic acid (FEDA) were prepared using a tricarbonyl kit and isolated by HPLC. The pharmacokinetics were evaluated in Sprague–Dawley rats, with 131 I-OIH as an internal control; urine was analyzed for metabolites. Plasma protein binding and erythrocyte uptake were determined from the 10 min blood samples. Re(CO) 3 (FEDA), the analog of 99m Tc(CO) 3 (FEDA), was prepared and characterized. Results: 99m Tc(CO) 3 (ADA), 99m Tc(CO) 3 (HDA) and 99m Tc(CO) 3 (FEDA) were efficiently prepared as a single species with high radiochemical purities (>99%). These new monoanionic 99m Tc(CO) 3 tracers with uncharged dangling groups all showed rapid blood clearance and high specificity for renal excretion. Activity in the urine, as a percent of 131 I-OIH at 10 and 60 min, was 96% and 99% for ADA, 96% and 100% for HDA, and 100% and 99% for FEDA, respectively. Each new tracer was excreted unchanged in the urine. The Re(CO) 3 (FEDA) structure adds compelling evidence that such 99m Tc(CO) 3 (NTA) analogs have metal-coordination spheres identical to that of 99m Tc(CO) 3 (NTA

Solution chemistry of lanthanide complexes

International Nuclear Information System (INIS)

Brittain, H.G.

1979-01-01

Intermolecular energy transfer from Tb 3+ to Eu 3+ , luminescence intensity measurements, potentiometric titrations, differential absorption spectroscopy, and spectroscopic titrations were all used to study the binding of lanthanide ions by serine and threonine. At low pH (3.0 to 6.0) the complexes are mononuclear and ligand is only weakly bound. In the pH interval of 6.0 to 8.5 stronger interaction takes place between the ligand and the metal (with possible coordination of the undissociated hydroxyl group), and self-association of complexes becomes important. Above pH 8.5, base hydrolysis of the complexes leads to highly associated species in solution and shortly above this pH an insoluble precipitate is formed. It was found that energy could be transferred from Tb 3+ to Eu 3+ more efficiently among complexes prepared from racemic ligands than in complexes made from resolved ligand, but this stereoselectivity was only observed at pH values greater than 6.5 and in solutions having a 1:10 ratio of metal-to-ligand. No stereoselectivity was found in solutions having 1:5 ratios, and this observation was explained by the existence of 1:2 metal-ligand complexes existing in solutions having the higher ratio of metal-to-ligand (only 1:1 complexes are then found at lower ratios of metal-to-ligand). (author)

Complexing of vanadium(3) with chromotropic acid derivatives

International Nuclear Information System (INIS)

Babenko, N.L.; Busev, A.I.; Sukhorukova, N.V.; Frolova, O.S.

1976-01-01

A spectrophotometric study has been made of the complex formation of vanadium (3) with arsenazo(1), arsenazo(3) and some monosubstituted derivatives of chromotropic acid and sulphanylamides. In acid medium vanadium (3) reacts with each of these reagents to produce a 1:1 complex. Optimum conditions of the complex formation was found. The effect of H + on the complex formation of vanadium (3) with chromotropic acid derivatives was established. It was found by the graphical method that the formation of the complex is accompanied by the elimination of one proton. Patterns were found of the influence of the nature of substituents in the organic compound on the ionization constants of acid groups and stability of complexes. Molar extinction coefficients, equilibrium constants of the formation reactions and instability constants for the complexes were calculated. The structure of complexes was suggested. Similar behaviour of all the reagents was established in the complex formation with vanadium (3)

Moessbauer spectroscopic studies of alkylammonium iron(III) complexes

International Nuclear Information System (INIS)

Katada, M.; Kozawa, S.; Nakajima, Y.

2006-01-01

Alkylammonium iron(III) complexes, [(n-C n H 2n+1 )mNH 4-m ] 3 [Fe(CN) 6 ] were prepared and studied by Moessbauer spectroscopy, XRD, and DSC. In the complexes with m=2, the temperature dependences of the area intensity of Moessbauer are correlated to the motion of alkyl chains. The temperature dependence of the complex with n=4 was linear and smaller than that of other complexes. Especially in the complex with n=6, the deviation from the linear was the largest in the complexes observed. This result is attributed to the structural difference of the complex. The complexes with n≥8 consist of two-dimensional layer structure. The temperature dependence of the area intensity was similar to each other. This means that the motion of alkyl chain in these complexes are almost the same. The values of quadrupole splitting for the complexes were larger those that of the complexes (m=1). This indicates that the form of [Fe(CN) 6 ] 3- ion is affected by the differences of the number of alkyl groups. (author)

Identification of an Isothiocyanate on the HypEF Complex Suggests a Route for Efficient Cyanyl-Group Channeling during [NiFe]-Hydrogenase Cofactor Generation.

Directory of Open Access Journals (Sweden)

Sven T Stripp

Full Text Available [NiFe]-hydrogenases catalyze uptake and evolution of H2 in a wide range of microorganisms. The enzyme is characterized by an inorganic nickel/ iron cofactor, the latter of which carries carbon monoxide and cyanide ligands. In vivo generation of these ligands requires a number of auxiliary proteins, the so-called Hyp family. Initially, HypF binds and activates the precursor metabolite carbamoyl phosphate. HypF catalyzes removal of phosphate and transfers the carbamate group to HypE. In an ATP-dependent condensation reaction, the C-terminal cysteinyl residue of HypE is modified to what has been interpreted as thiocyanate. This group is the direct precursor of the cyanide ligands of the [NiFe]-hydrogenase active site cofactor. We present a FT-IR analysis of HypE and HypF as isolated from E. coli. We follow the HypF-catalyzed cyanation of HypE in vitro and screen for the influence of carbamoyl phosphate and ATP. To elucidate on the differences between HypE and the HypEF complex, spectro-electrochemistry was used to map the vibrational Stark effect of naturally cyanated HypE. The IR signature of HypE could ultimately be assigned to isothiocyanate (-N=C=S rather than thiocyanate (-S-C≡N. This has important implications for cyanyl-group channeling during [NiFe]-hydrogenase cofactor generation.

Thrive or overload? The effect of task complexity on novices' simulation-based learning.

Science.gov (United States)

Haji, Faizal A; Cheung, Jeffrey J H; Woods, Nicole; Regehr, Glenn; de Ribaupierre, Sandrine; Dubrowski, Adam

2016-09-01

Fidelity is widely viewed as an important element of simulation instructional design based on its purported relationship with transfer of learning. However, higher levels of fidelity may increase task complexity to a point at which novices' cognitive resources become overloaded. In this experiment, we investigate the effects of variations in task complexity on novices' cognitive load and learning during simulation-based procedural skills training. Thirty-eight medical students were randomly assigned to simulation training on a simple or complex lumbar puncture (LP) task. Participants completed four practice trials on this task (skill acquisition). After 10 days of rest, all participants completed one additional trial on their assigned task (retention) and one trial on a 'very complex' simulation designed to be similar to the complex task (transfer). We assessed LP performance and cognitive load on each trial using multiple measures. In both groups, LP performance improved significantly during skill acquisition (p ≤ 0.047, f = 0.29-0.96) and was maintained at retention. The simple task group demonstrated superior performance compared with the complex task group throughout these phases (p ≤ 0.002, d = 1.13-2.31). Cognitive load declined significantly in the simple task group (p Education.

Synthesis, characterization, and reactivity of a uranium(VI) carbene imido oxo complex

Energy Technology Data Exchange (ETDEWEB)

Lu, Erli; Cooper, Oliver J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. [School of Chemistry, University of Nottingham (United Kingdom); Tuna, Floriana; McInnes, Eric J.L. [School of Chemistry and Photon Science Institute, University of Manchester (United Kingdom)

2014-06-23

We report the uranium(VI) carbene imido oxo complex [U(BIPM{sup TMS})(NMes)(O)(DMAP){sub 2}] (5, BIPM{sup TMS}=C(PPh{sub 2}NSiMe{sub 3}){sub 2}; Mes=2,4,6-Me{sub 3}C{sub 6}H{sub 2}; DMAP=4-(dimethylamino)pyridine) which exhibits the unprecedented arrangement of three formal multiply bonded ligands to one metal center where the coordinated heteroatoms derive from different element groups. This complex was prepared by incorporation of carbene, imido, and then oxo groups at the uranium center by salt elimination, protonolysis, and two-electron oxidation, respectively. The oxo and imido groups adopt axial positions in a T-shaped motif with respect to the carbene, which is consistent with an inverse trans-influence. Complex 5 reacts with tert-butylisocyanate at the imido rather than carbene group to afford the uranyl(VI) carbene complex [U(BIPM{sup TMS})(O){sub 2}(DMAP){sub 2}] (6). (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Category O for quantum groups

DEFF Research Database (Denmark)

Andersen, Henning Haahr; Mazorchuk, Volodymyr

2015-01-01

We study the BGG-categories O_q associated to quantum groups. We prove that many properties of the ordinary BGG-category O for a semisimple complex Lie algebra carry over to the quantum case. Of particular interest is the case when q is a complex root of unity. Here we prove a tensor decomposition...... for simple modules, projective modules, and indecomposable tilting modules. Using the known Kazhdan–Lusztig conjectures for O and for finite-dimensional U_q-modules we are able to determine all irreducible characters as well as the characters of all indecomposable tilting modules in O_q . As a consequence......, we also recover the known result that the generic quantum case behaves like the classical category O....

Advances in real and complex analysis with applications

CERN Document Server

Cho, Yeol; Agarwal, Praveen; Area, Iván

2017-01-01

This book discusses a variety of topics in mathematics and engineering as well as their applications, clearly explaining the mathematical concepts in the simplest possible way and illustrating them with a number of solved examples. The topics include real and complex analysis, special functions and analytic number theory, q-series, Ramanujan’s mathematics, fractional calculus, Clifford and harmonic analysis, graph theory, complex analysis, complex dynamical systems, complex function spaces and operator theory, geometric analysis of complex manifolds, geometric function theory, Riemannian surfaces, Teichmüller spaces and Kleinian groups, engineering applications of complex analytic methods, nonlinear analysis, inequality theory, potential theory, partial differential equations, numerical analysis , fixed-point theory, variational inequality, equilibrium problems, optimization problems, stability of functional equations, and mathematical physics.  It includes papers presented at the 24th International Confe...

Streptococcus bovis/S. equinus complex septicemia in a group of calves following intramuscular vaccination.

Science.gov (United States)

Clarke, Lorelei L; Fathke, Robert L; Sanchez, Susan; Stanton, James B

2016-07-01

Organisms previously classified as Streptococcus bovis (i.e., the S. bovis/S. equinus complex) are common in cattle feces, but may also act as opportunistic pathogens. In the current work, Streptococcus infantarius subsp. coli, a member of this complex, was associated of a cluster of calves that died within hours of injection with a modified live viral vaccine. Within 12 h of vaccination of 46 calves at a cow/calf operation, 4 calves had died, 3 calves were ill, and 1 unvaccinated cow was dead. Autopsies were performed on the cow, 2 dead calves, and 1 affected surviving calf, which was euthanized ~24 h after vaccine administration. The animals had similar gross anatomic and microscopic lesions, including subcutaneous and intramuscular dark hemorrhage on the caudal neck, multiorgan ecchymosis and petechiation, and alveolitis to interstitial pneumonia. Gram-positive cocci were in the vasculature of the lung and skeletal muscle, and S. infantarius subsp. coli was cultured from tissues and from the vaccines used on affected animals, but not in vials used on unaffected animals. Together, these findings suggest death caused by streptococcal septicemia and toxemia as a result of contamination. © 2016 The Author(s).

Algorithm that mimics human perceptual grouping of dot patterns

NARCIS (Netherlands)

Papari, G.; Petkov, N.; Gregorio, MD; DiMaio,; Frucci, M; Musio, C

2005-01-01

We propose an algorithm that groups points similarly to how human observers do. It is simple, totally unsupervised and able to find clusters of complex and not necessarily convex shape. Groups are identified as the connected components of a Reduced Delaunay Graph (RDG) that we define in this paper.

Role of MDCT angiography in the preoperative evaluation of anomalous pulmonary venous connection associated with complex cardiac abnormality

International Nuclear Information System (INIS)

Liu Jingzhe; Wu Qingyu; Xu Yufeng; Bai Yan; Liu Zhibo; Li Hongyin; Zhu Jiemin

2012-01-01

Objectives: To evaluate the diagnostic accuracy of MDCT in patients with APVC associated with complex cardiac abnormality. Materials and methods: The clinical and imaging data of 39 patients with APVC confirmed by surgery were retrospectively reviewed. According to accompanied cardiac malformations, patients with APVC were classified as isolated and complex group. Using surgical findings as the reference standard, diagnostic agreement of MDCT, TTE (transthoracic echocardiography) and cardiac catheterization for detection of APVC were calculated. Results: At surgery, 27 patients were considered as complex APVCs. MDCT correctly diagnosed APVC in all patients and the diagnostic agreements between MDCT and surgery were both 100% in isolated and complex groups. All 5 APVCs which could not be detected at cardiac catheterization were in complex group, and the diagnostic agreements were 100% and 76.2% in isolated and complex groups, respectively. At TTE, eight of nine disagreed patients were complex cases. The diagnostic agreements of TTE were 91.7% and 66.7% in isolated and complex groups, respectively. The dysmorphic pulmonary veins were identified in 11 patients by MDCT. Conclusions: MDCT is superior to catheterization and TTE in evaluation of APVC associated with complex cardiac defects.

[An experimental study on a slow-release complex with rifampicin-polylactic-co-glycolic acid-calcium 
phosphate cement].

Science.gov (United States)

Wu, Jianhuang; Ding, Zhou; Lei, Qing; Li, Miao; Liang, Yan; Lu, Tao

2016-09-28

To prepare the slow-release complex with rifampicin (RFP)-polylactic-co-glycolic acid (PLGA)-calcium phosphate cement (CPC) (RFP-PLGA-CPC complex), and to study its physical and chemical properties and drug release properties in vitro.
 The emulsification-solvent evaporation method was adopted to prepare rifampicin polylactic acid-glycolic acid (RFP-PLGA) slow-release microspheres, which were divided into 3 groups: a calcium phosphate bone cement group (CPC group), a CPC embedded with RFP group (RFP-CPC group), and a PLGA slow-release microspheres carrying RFP and the self-curing CPC group (RFP- PLGA-CPC complex group). The solidification time and porosity of materials were determined. The drug release experiments in vitro were carried out to observe the compressive strength, the change of section morphology before and after drug release. 
 The CPC group showed the shortest solidification time, while the RFP-PLGA-CPC complex group had the longest one. There was statistical difference in the porosity between the CPC group and the RFP-CPC group (Pbehavior of the complex, which was in accordance with zero order kinetics equation F=0.168×t.
 The porosity of RFP-PLGA-CPC complex is significantly higher than that of CPC, and it can keep slow release of the effective anti-tuberculosis drugs and maintain a certain mechanical strength for a long time.

Complex decision-making: initial results of an empirical study

OpenAIRE

Pier Luigi Baldi

2011-01-01

A brief survey of key literature on emotions and decision-making introduces an empirical study of a group of university students exploring the effects of decision-making complexity on error risk. The results clearly show that decision-making under stress in the experimental group produces significantly more errors than in the stress-free control group.

Women's experiences of participation in a feminist group for women with complex mental health issues.

Science.gov (United States)

Clements Eaton, Emma Catherine; Cox, Rachel

2015-01-01

A sample of women (n = 5) participated in a qualitative service evaluation concerning an open-ended, therapeutic group for women only. Data analysis followed suggestions by Halcomb and Davidson (2006). Main themes derived from the evaluation included: 'Groups are different from individual work', 'Belonging/ not being alone', 'Performance in the group', 'The group as a safety net', 'Life improvements and hope for the future' and 'The extent of emotional despair felt'. In this paper, several sub-themes within the main themes and relevant theories and implications for theory and service provision are discussed.

Mechanisms for the reactions of group 10 transition metal complexes with metal-group 14 element bonds, Bbt(Br)E═M(PCy3)2 (E = C, Si, Ge, Sn, Pb; M = Pd and Pt).

Science.gov (United States)

Liao, Wei-Hung; Ho, Pei-Yun; Su, Ming-Der

2013-02-04

The electronic structures of the Bbt(Br)E═M(PCy(3))(2) (E = C, Si, Ge, Sn, Pb and M = Pt, Pd) complexes and their potential energy surfaces for the formation and water addition reactions were studied using density functional theory (B3LYP/LANL2DZ). The theoretical evidence suggests that the bonding character of the E═M double bond between the six valence-electron Bbt(Br)E: species and the 14 valence-electron (PCy(3))(2)M complexes has a predominantly high s-character. That is, on the basis of the NBO, this theoretical study indicates that the σ-donation from the E element to the M atom prevails. Also, theoretical computations suggest that the relative reactivity decreases in the order: Bbt(Br)C═M(PCy(3))(2) > Bbt(Br)Si═M(PCy(3))(2) > Bbt(Br)Ge═M(PCy(3))(2) > Bbt(Br)Sn═M(PCy(3))(2) > Bbt(Br)Pb═M(PCy(3))(2), irrespective of whether M = Pt or M = Pd is chosen. Namely, the greater the atomic weight of the group 14 atom (E), the larger is the atomic radius of E and the more stable is its Bbt(Br)E═M(PCy(3))(2) doubly bonded species toward chemical reactions. The computational results show good agreement with the available experimental observations. The theoretical results obtained in this work allow a number of predictions to be made.

COSTANZA, 1-D 2 Group Space-Dependent Reactor Dynamics of Spatial Reactor with 1 Group Delayed Neutrons

International Nuclear Information System (INIS)

Agazzi, A.; Gavazzi, C.; Vincenti, E.; Monterosso, R.

1964-01-01

1 - Nature of physical problem solved: The programme studies the spatial dynamics of reactor TESI, in the two group and one space dimension approximation. Only one group of delayed neutrons is considered. The programme simulates the vertical movement of the control rods according to any given movement law. The programme calculates the evolution of the fluxes and temperature and precursor concentration in space and time during the power excursion. 2 - Restrictions on the complexity of the problem: The maximum number of lattice points is 100

Polymerization of lanthanide acrylonitrile complexes.

Science.gov (United States)

el-Mossalamy, El-Sayed H; Khalil, Ahmed A

2002-01-01

The molecular complexes of some lanthanides scandium (Sc3+), yttrium (Y3+), lanthanum (La3+), gadolinium (Gd3+), cerium (Ce3+) and ytterbium (Yb3) have been studies in dimethyl formamide (DMF) spectrophtometrically equilibrium constants (K), molar extintion coefficient (epsilon), energy of transition (E) and free energy (delta G*) were calculated. The polymerization of acrylonitrile has been studied and investigated in the presence of Sc3+, Y3+, La3+, Gd3+, Ce3+, and Yb3+ ions. The IR spectra of the formed AN-M (III) Br3 polymer complexes show the absence of the C identical to N band and the presence of two new bands corresponding to NH2 and OH groups. Magnetic moment values and the thermal stabilities of homopolymer and the polymer complexes were studied by means of thermogravimetric analysis and the activation energies for degradation were calculated.

Complex stimulation of peripheral nerve regeneration after deferred neurorrhaphy

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Ivanov A.N.

2017-09-01

Full Text Available The aim is to study the complex stimulation effect including skin autotransplantation and electrical stimulation of the sciatic nerve on microcircular, electrophysiological and morphological changes after deferred neurorrhaphy in rats. Material and methods. The experiment was performed in 50 albino rats divided into control, comparative and experimental groups. In the experimental group, on the background of deferred neurorrhaphy, skin autotransplantation and electrical stimulation of the sciatic nerve had been carried out. In the comparative group only deferred neurorrhaphy was performed. Research methods included laser doppler flowmetry, electroneuromyography and morphological analysis of the operated nerve. Results. Complex stimulation including skin autotransplantation and direct action of electrical pulses on the sciatic nerve after its deferred neurorrhaphy causes restoration of bloodstream in the operated limb, promotes intensification of restoration of nerve fibers. Conclusion. Intensification of sciatic nerve regeneration after deferred neurorrhaphy in rats under the influence of complex stimulation including full-thickness skin graft autotransplantation and direct action of electrical pulses substantiates experimentally appropriateness of clinical testing of the given method for treatment of patients with peripheral nerve injuries.

On the total character of finite groups

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Sunil Kumar Prajapati

2014-09-01

Full Text Available For a finite group $G$, we study the total character $tau_G$ afforded by the direct sum of all the non-isomorphic irreducible complex representations of $G$. We resolve for several classes of groups (the Camina $p$-groups, the generalized Camina $p$-groups, the groups which admit $(G,Z(G$ as a generalized Camina pair, the problem of existence of a polynomial $f(x in mathbb{Q}[x]$ such that $f(chi = tau_G$ for some irreducible character $chi$ of $G$. As a consequence, we completely determine the $p$-groups of order at most $p^5$ (with $p$ odd which admit such a polynomial. We deduce the characterization that these are the groups $G$ for which $Z(G$ is cyclic and $(G,Z(G$ is a generalized Camina pair and, we conjecture that this holds good for $p$-groups of any order.

Ethnic and Gender Diversity, Process and Performance in Groups of Business Students in Sweden

Science.gov (United States)

Umans, Timurs; Collin, Sven-Olof; Tagesson, Torbjorn

2008-01-01

This article investigates the complex interrelation between ethnic and gender diversity, process and performance among groups of business students. The article is based on an empirical survey of business students working on a complex assignment in groups of two to five in a small Swedish university. The results indicate that gender diversity leads…

Complexation of Flavonoids with Iron: Structure and Optical Signatures

Science.gov (United States)

Ren, Jun; Meng, Sheng; Lekka, Ch. E.; Kaxiras, Efthimios

2008-03-01

Flavonoids exhibit antioxidant behavior believed to be related to their metal ion chelation ability. We investigate the complexation mechanism of several flavonoids, quercetin, luteolin, galangin, kaempferol and chrysin with iron, the most abundant type of metal ions in the body, through first- principles electronic structure calculations based on Density Functional Theory (DFT). We find that the most likely chelation site for Fe is the 3-hydroxyl-4-carbonyl group, followed by 4- carbonyl-5-hydroxyl group and the 3'-4' hydroxyl (if present) for all the flavonoid molecules studied. Three quercetin molecules are required to saturate the bonds of a single Fe ion by forming six orthogonal Fe-O bonds, though the binding energy per molecule is highest for complexes consisting of two quercetin molecules and one Fe atom, in agreement with experiment. Optical absorption spectra calculated with time- dependent DFT serve as signatures to identify various complexes. For the iron-quercetin complexes, we find a redshift of the first absorbance peak upon complexation in good agreement with experiment; this behavior is explained by the narrowing of the optical gap of quercetin due to Fe(d)--O(p) orbital hybridization.

Complex decision-making: initial results of an empirical study

Directory of Open Access Journals (Sweden)

Pier Luigi Baldi

2011-09-01

Full Text Available A brief survey of key literature on emotions and decision-making introduces an empirical study of a group of university students exploring the effects of decision-making complexity on error risk. The results clearly show that decision-making under stress in the experimental group produces significantly more errors than in the stress-free control group.

Frustration across the periodic table: heterolytic cleavage of dihydrogen by metal complexes.

Science.gov (United States)

Bullock, R Morris; Chambers, Geoffrey M

2017-08-28

This perspective examines frustrated Lewis pairs (FLPs) in the context of heterolytic cleavage of H 2 by transition metal complexes, with an emphasis on molecular complexes bearing an intramolecular Lewis base. FLPs have traditionally been associated with main group compounds, yet many reactions of transition metal complexes support a broader classification of FLPs that includes certain types of transition metal complexes with reactivity resembling main group-based FLPs. This article surveys transition metal complexes that heterolytically cleave H 2 , which vary in the degree that the Lewis pairs within these systems interact. Many of the examples include complexes bearing a pendant amine functioning as the base with the metal functioning as the hydride acceptor. Consideration of transition metal compounds in the context of FLPs can inspire new innovations and improvements in transition metal catalysis.This article is part of the themed issue 'Frustrated Lewis pair chemistry'. © 2017 The Author(s).

Stabilization for the automorphisms of free groups with boundaries

DEFF Research Database (Denmark)

Hatcher, Allen; Wahl, Nathalie

2005-01-01

class groups of most compact orientable 3-manifolds, modulo twists along 2-spheres, stabilize under iterated connected sum with the product of a circle and a 2-sphere, and the stable groups are invariant under connected sum with a solid torus or a ball. These results are proved using complexes of disks....... This is needed for the second author's recent work on the relationship between the infinite loop structures on the classifying spaces of mapping class groups of surfaces and automorphism groups of free groups, after stabilization and plus-construction. We show more generally that the homology groups of mapping...

Generic Lower Bounds for Root Extraction and Signature Schemes in General Groups

DEFF Research Database (Denmark)

Damgård, Ivan Bjerre; Koprowski, Maciej

2002-01-01

not use any special properties of the group at hand. We prove an exponential lower bound on the generic complexity of root extraction, even if the algorithm can choose the public exponent itself. In other words, both the standard and the strong RSA assumption are provably true w.r.t. generic algorithms...... it in RSA groups without the original restriction that the modulus must be a product of safe primes. It can also be implemented in class groups. In all cases, security follows from a well defined complexity assumption (the strong root assumption), without relying on random oracles, and the assumption...

Biset functors for finite groups

CERN Document Server

Bouc, Serge

2010-01-01

This volume exposes the theory of biset functors for finite groups, which yields a unified framework for operations of induction, restriction, inflation, deflation and transport by isomorphism. The first part recalls the basics on biset categories and biset functors. The second part is concerned with the Burnside functor and the functor of complex characters, together with semisimplicity issues and an overview of Green biset functors. The last part is devoted to biset functors defined over p-groups for a fixed prime number p. This includes the structure of the functor of rational representations and rational p-biset functors. The last two chapters expose three applications of biset functors to long-standing open problems, in particular the structure of the Dade group of an arbitrary finite p-group.This book is intended both to students and researchers, as it gives a didactic exposition of the basics and a rewriting of advanced results in the area, with some new ideas and proofs.

Projective cohomology over a chain complex

International Nuclear Information System (INIS)

Abd El-Sattar, A. Dabbour; Salama, T.M.

1989-07-01

In the present work we study some topics of spectrums with morphisms and then define a cohomology construction for compact Hausdorff spaces over a chain complex as the coefficient group. It is proved that this construction is δ-functor. (author). 16 refs

Complex Population Structure of Lyme Borreliosis Group Spirochete Borrelia garinii in Subarctic Eurasia

Science.gov (United States)

Comstedt, Pär; Asokliene, Loreta; Eliasson, Ingvar; Olsen, Björn; Wallensten, Anders; Bunikis, Jonas; Bergström, Sven

2009-01-01

Borrelia garinii, a causative agent of Lyme borreliosis in Europe and Asia, is naturally maintained in marine and terrestrial enzootic cycles, which primarily involve birds, including seabirds and migratory passerines. These bird groups associate with, correspondingly, Ixodes uriae and Ixodes ricinus ticks, of which the latter species may bite and transmit the infection to humans. Studies of the overlap between these two natural cycles of B. garinii have been limited, in part due to the absence of representative collections of this spirochete's samples, as well as of the lack of reliable measure of the genetic heterogeneity of its strains. As a prerequisite for understanding the epidemiological correlates of the complex maintenance of B. garinii, the present study sought to assess the diversity and phylogenetic relationships of this species' strains from its natural hosts and patients with Lyme borreliosis from subarctic Eurasia. We used sequence typing of the partial rrs-rrl intergenic spacer (IGS) of archived and prospective samples of B. garinii from I. uriae ticks collected predominantly on Commander Islands in North Pacific, as well as on the islands in northern Sweden and arctic Norway. We also typed B. garinii samples from patients with Lyme borreliosis and I. ricinus ticks infesting migratory birds in southern Sweden, or found questing in selected sites on the islands in the Baltic Sea and Lithuania. Fifty-two (68%) of 77 B. garinii samples representing wide geographical range and associated with I. ricinus and infection of humans contributed 12 (60%) of total 20 identified IGS variants. In contrast, the remaining 25 (32%) samples recovered from I. uriae ticks from a few islands accounted for as many as 10 (50%) IGS types, suggesting greater local diversity of B. garinii maintained by seabirds and their ticks. Two IGS variants of the spirochete in common for both tick species were found in I. ricinus larvae from migratory birds, an indication that B

Complexity and Health Coaching: Synergies in Nursing

Directory of Open Access Journals (Sweden)

Gail J. Mitchell

2013-01-01

Full Text Available Health care professionals are increasingly aware that persons are complex and live in relation with other complex human communities and broader systems. Complex beings and systems are living and evolving in nonlinear ways through a process of mutual influence. Traditional standardized approaches in chronic disease management do not address these non-linear linkages and the meaning and changes that impact day-to-day life and caring for self and family. The RN health coach role described in this paper addresses the complexities and ambiguities for persons living with chronic illness in order to provide person-centered care and support that are unique and responsive to the context of persons’ lives. Informed by complexity thinking and relational inquiry, the RN health coach is an emergent innovation of creative action with community and groups that support persons as they shape their health and patterns of living.

An approach to measuring adolescents' perception of complexity for pictures of fruit and vegetable mixes

DEFF Research Database (Denmark)

Mielby, Line Holler; Bennedbæk-Jensen, Sidsel; Edelenbos, Merete

2013-01-01

. An adolescent consumer group (n = 242) and an adult consumer group (n = 86) subsequently rated the pictures on simplicity and attractiveness. Pearson's correlation coefficients revealed strong correlations between the sensory panel and both consumer groups' usage of simplicity. This suggests that simplicity can...... adolescents' perception of complexity of pictures of fruit and vegetable mixes. A sensory panel evaluated 10 descriptive attributes, including simplicity and complexity, for 24 pictures of fruit and vegetable mixes. The descriptive analysis found strong inverse correlation between complexity and simplicity...

Zeeman spectroscopy of Zn-H complex in germanium

International Nuclear Information System (INIS)

Prabakar, J.P.C.; Vickers, R.E.M.; Fisher, P.

1998-01-01

Full text: A divalent substitutional zinc atom in germanium complexed with an interstitial hydrogen atom gives rise to a monovalent acceptor of trigonal symmetry. The axial nature of this complex splits the four-fold degenerate states associated with substitutional point defects into two two-fold degenerate states. Zeeman spectra of the Zn-H complex have been observed for B along and crystallographic directions in the Voigt configuration using linearly polarised radiation. Spectra of the C and D lines for B ≤ 2 Tesla are essentially identical to those of these lines of group III impurities; here B is the field strength. At all fields, splitting of the excited state of the D lines is identical to that for group III acceptors in germanium. The magnetic field dependence of the D components for both E parallel B and E perpendicular B and the selection rules demand that only one of the two two-fold 1s-like energy levels is occupied at the temperatures used instead of both. The results confirm piezospectroscopic studies which demonstrated that the axes of the complexes are along the four covalent bond directions of the host

A dimer of the lymphoid protein RAG1 recognizes the recombination signal sequence and the complex stably incorporates the high mobility group protein HMG2.

Science.gov (United States)

Rodgers, K K; Villey, I J; Ptaszek, L; Corbett, E; Schatz, D G; Coleman, J E

1999-07-15

RAG1 and RAG2 are the two lymphoid-specific proteins required for the cleavage of DNA sequences known as the recombination signal sequences (RSSs) flanking V, D or J regions of the antigen-binding genes. Previous studies have shown that RAG1 alone is capable of binding to the RSS, whereas RAG2 only binds as a RAG1/RAG2 complex. We have expressed recombinant core RAG1 (amino acids 384-1008) in Escherichia coli and demonstrated catalytic activity when combined with RAG2. This protein was then used to determine its oligomeric forms and the dissociation constant of binding to the RSS. Electrophoretic mobility shift assays show that up to three oligomeric complexes of core RAG1 form with a single RSS. Core RAG1 was found to exist as a dimer both when free in solution and as the minimal species bound to the RSS. Competition assays show that RAG1 recognizes both the conserved nonamer and heptamer sequences of the RSS. Zinc analysis shows the core to contain two zinc ions. The purified RAG1 protein overexpressed in E.coli exhibited the expected cleavage activity when combined with RAG2 purified from transfected 293T cells. The high mobility group protein HMG2 is stably incorporated into the recombinant RAG1/RSS complex and can increase the affinity of RAG1 for the RSS in the absence of RAG2.

Response to the Comment by G. Emch on projective group representations in quaternionic Hilbert space

International Nuclear Information System (INIS)

Adler, S.L.

1996-01-01

We discuss the differing definitions of complex and quaternionic projective group representations employed by us and by Emch. The definition of Emch (termed here a strong projective representation) is too restrictive to accommodate quaternionic Hilbert space embeddings of complex projective representations. Our definition (termed here a weak projective representation) encompasses such embeddings, and leads to a detailed theory of quaternionic, as well as complex, projective group representations. copyright 1996 American Institute of Physics

Complex assembly, crystallization and preliminary X-ray crystallographic analysis of the human Rod–Zwilch–ZW10 (RZZ) complex

Energy Technology Data Exchange (ETDEWEB)

Altenfeld, Anika; Wohlgemuth, Sabine [Max Planck Institute of Molecular Physiology, Otto Hahn Strasse 11, 44227 Dortmund (Germany); Wehenkel, Annemarie [Institut Curie, CNRS UMR 3348/INSERM U1005, Bâtiment 110, Centre Universitaire, 91405 Orsay CEDEX (France); Vetter, Ingrid R. [Max Planck Institute of Molecular Physiology, Otto Hahn Strasse 11, 44227 Dortmund (Germany); Musacchio, Andrea, E-mail: andrea.musacchio@mpi-dortmund.mpg.de [Max Planck Institute of Molecular Physiology, Otto Hahn Strasse 11, 44227 Dortmund (Germany); University of Duisburg-Essen, Universitätstrasse 1, 45141 Essen (Germany)

2015-03-20

The 800 kDa complex of the human Rod, Zwilch and ZW10 proteins (the RZZ complex) was reconstituted in insect cells, purified, crystallized and subjected to preliminary X-ray diffraction analysis. The spindle-assembly checkpoint (SAC) monitors kinetochore–microtubule attachment during mitosis. In metazoans, the three-subunit Rod–Zwilch–ZW10 (RZZ) complex is a crucial SAC component that interacts with additional SAC-activating and SAC-silencing components, including the Mad1–Mad2 complex and cytoplasmic dynein. The RZZ complex contains two copies of each subunit and has a predicted molecular mass of ∼800 kDa. Given the low abundance of the RZZ complex in natural sources, its recombinant reconstitution was attempted by co-expression of its subunits in insect cells. The RZZ complex was purified to homogeneity and subjected to systematic crystallization attempts. Initial crystals containing the entire RZZ complex were obtained using the sitting-drop method and were subjected to optimization to improve the diffraction resolution limit. The crystals belonged to space group P3{sub 1} (No. 144) or P3{sub 2} (No. 145), with unit-cell parameters a = b = 215.45, c = 458.7 Å, α = β = 90.0, γ = 120.0°.

Thiocarbonyl complexes of rhenium. Pt. 1

International Nuclear Information System (INIS)

Abram, U.

1993-01-01

Novel rhenium complexes with terminal thiocarbonyl groups have been synthesized from ReCl 3 (Me 2 PhP) 3 and sodium diethyldithiocarbamate. mer-(Diethyldithiocarbamato)tris-(dimethylphenylphosphine)(thiocarbonyl)rhenium( I), mer-[Re(CS)(Me 2 PhP) 3 (Et 2 dtc)], and tris(diethyldithiocarbamato)(thiocarbonyl)rhenium(III), [Re(CS)(Et 2 dtc) 3 ] have been studied by infrared and NMR spectroscopy, mass spectrometry and X-ray diffraction. mer-[Re(CS)(Me 2 PhP) 3 (Et 2 dtc)] crystallizes orthorhombic in the space group P na 2 1 with a=1516.1(2), b=2189.8(2) and c=1035.6(1) pm. Structure solution and refinement converged at R=0.042. The coordination geometry is a distorted octahedron. The Re-C bond length is found to be 184(2) pm. [Re(CS)(Et 2 dtc) 3 ] crystallizes monoclinic in the space group P2 1 /c with a=962.2(6), b=1744.0(2), c=1537.4(6) pm and β=96.21(1) . The final R value is 0.028. In the monomeric complex the rhenium atom is seven-coordinate with an approximate pentagonal-bipyramidal coordination sphere and a rhenium-carbon distance of 181(1) pm. (orig.)

Leadership in moving human groups.

Directory of Open Access Journals (Sweden)

Margarete Boos

2014-04-01

Full Text Available How is movement of individuals coordinated as a group? This is a fundamental question of social behaviour, encompassing phenomena such as bird flocking, fish schooling, and the innumerable activities in human groups that require people to synchronise their actions. We have developed an experimental paradigm, the HoneyComb computer-based multi-client game, to empirically investigate human movement coordination and leadership. Using economic games as a model, we set monetary incentives to motivate players on a virtual playfield to reach goals via players' movements. We asked whether (I humans coordinate their movements when information is limited to an individual group member's observation of adjacent group member motion, (II whether an informed group minority can lead an uninformed group majority to the minority's goal, and if so, (III how this minority exerts its influence. We showed that in a human group--on the basis of movement alone--a minority can successfully lead a majority. Minorities lead successfully when (a their members choose similar initial steps towards their goal field and (b they are among the first in the whole group to make a move. Using our approach, we empirically demonstrate that the rules of swarming behaviour apply to humans. Even complex human behaviour, such as leadership and directed group movement, follow simple rules that are based on visual perception of local movement.

Dietary arginine silicate inositol complex inhibits periodontal tissue loss in rats with ligature-induced periodontitis.

Science.gov (United States)

Dundar, Serkan; Eltas, Abubekir; Hakki, Sema S; Malkoc, Sıddık; Uslu, M Ozay; Tuzcu, Mehmet; Komorowski, James; Ozercan, I Hanifi; Akdemir, Fatih; Sahin, Kazim

2016-01-01

The purpose of this study was to induce experimental periodontitis in rats previously fed diets containing arginine silicate inositol (ASI) complex and examine the biochemical, immunological, and radiological effects. Fifty two 8-week-old female Sprague Dawley rats were equally divided into four groups. The control group included those fed a standard rat diet with no operation performed during the experiment. The periodontitis, ASI I, and ASI II groups were subjected to experimental periodontitis induction for 11 days after being fed a standard rat diet alone, a diet containing 1.81 g/kg ASI complex, or a diet containing 3.62 g/kg ASI complex, respectively, for 8 weeks. Throughout the 11-day duration of periodontitis induction, all rats were fed standard feed. The rats were euthanized on the eleventh day, and their tissue and blood samples were collected. In the periodontitis group, elevated tissue destruction parameters and reduced tissue formation parameters were found, as compared to the ASI groups. Levels of enzymes, cytokines, and mediators associated with periodontal tissue destruction were lower in rats fed a diet containing ASI complex after experimental periodontitis. These results indicate that ASI complex could be an alternative agent for host modulation.

Comparative Mycobacteriology of the Mycobacterium tuberculosis complex

OpenAIRE

Gordon, Stephen V.; Behr, Marcel A.

2015-01-01

The Mycobacterium tuberculosis complex (MTBC) is a group of highly genetically related pathogens that cause tuberculosis (TB) in mammalian species. However, the very name of the complex underlines the fact that our knowledge of these pathogens is dominated by studies on the human pathogen, M. tuberculosis. Of course this is entirely justified; M. tuberculosis is a major global pathogen that exacts a horrendous burden in terms of mortality and morbidity so it is appropriate that it is...

The effect of peculiar complex core balance training on isokinetic muscle functions of the knee and lumbus.

Science.gov (United States)

Lee, Myungsun; Han, Gunsoo

2016-04-01

[Purpose] This study aimed to investigate the effect of peculiar complex core balance training on the isokinetic muscle function of the knee joint and lumbus to provide fundamental data for establishing a training program that focuses on improving the performance and prevention of injury by developing the core and low extremity muscles. [Subjects and Methods] The participants in this study included a total of ten high school athletes involved in a throwing event for over five years. The subjects were randomly divided into two groups: The experimental group (N=5) and the control group (N=5). The experimental group underwent peculiar complex core balance training. [Results] According to the analysis of covariance, there was a significant effect of peculiar complex core balance training. Therefore, the isokinetic muscle function of the knee joint and lumbus in the experimental group participating in peculiar complex core balance training was significantly increased compared to the control group. [Conclusion] It is concluded that peculiar complex core balance training had a positive effect on the isokinetic muscle function of the knee and lumbus in throwing event athletes.

Complex Needs or Simplistic Approaches? Homelessness Services and People with Complex Needs in Edinburgh

Directory of Open Access Journals (Sweden)

Manuel Macias Balda

2016-10-01

Full Text Available This research addresses how homelessness services from the statutory and voluntary sector are working for people with complex needs in the City of Edinburgh. Using a qualitative approach, it analyses the service providers’ perspectives on the concept, challenges and what works when dealing with this group of people. It also explores the opinions of a sample of service users, categorised as having complex needs, regarding the accommodation and support they are receiving. After analysing the data, it is argued that homelessness agencies do not have an appropriate cognitive nor institutional framework that facilitates an effective approach to work with people with complex needs. The lack of a sophisticated understanding that recognises the relational difficulties of individuals and the presence of structural, organisational, professional and interpersonal barriers hinder the development of positive long-term relationships which is considered as the key factor of change. For this reason, it is recommended to address a set of factors that go beyond simplistic and linear approaches and move towards complex responses in order to tackle homelessness from a broader perspective and, ultimately, achieve social inclusion.

Providing Effective Speech-Language Pathology Group Treatment in the Comprehensive Inpatient Rehabilitation Setting.

Science.gov (United States)

Baron, Christine; Holcombe, Molly; van der Stelt, Candace

2018-02-01

Group treatment is an integral part of speech-language pathology (SLP) practice. The majority of SLP literature concerns group treatment provided in outpatient settings. This article describes the goals, procedures, and benefits of providing quality SLP group therapy in the comprehensive inpatient rehabilitation (CIR) setting. Effective CIR groups must be designed with attention to type and severity of communication impairment, as well physical stamina of group members. Group leaders need to target individualized patient goals while creating a challenging, complex, and dynamic group context that supports participation by all group members. Direct patient-to-patient interaction is fostered as much as possible. Peer feedback supports goal acquisition by fellow group members. The rich, complex group context fosters improved insight, initiation, social connectedness, and generalization of communication skills. Group treatment provides a unique type of treatment not easily replicated with individual treatment. SLP group treatment in a CIR is an essential component of an intensive, high-quality program. Continued advocacy for group therapy provision and research into its efficacy and effectiveness are warranted. Thieme Medical Publishers 333 Seventh Avenue, New York, NY 10001, USA.

Exceptional groups and elementary-particle structures

International Nuclear Information System (INIS)

Biedenharn, L.C.; Truini, P.

1981-09-01

A new finite-dimensional quantum mechanical space is constructed over the complex octonionic plane using the recently developed algebraic techniques of Jordan pairs and inner ideals. The automorphism group of this structure is E 6 x U(1), realized on precisely two E 6 irreps which is abstracted as a (topless) model for grand unification

Terbium and dysprosium complexes luminescence at low temperatures

Energy Technology Data Exchange (ETDEWEB)

Meshkova, S B; Kravchenko, T B; Kononenko, L.I.; Poluehktov, N S [AN Ukrainskoj SSR, Odessa. Fiziko-Khimicheskij Inst.

1979-01-01

The variation is studied of the luminescence intensity of terbium and dysprosium complexes used in the analysis as solutions are cooled down to the liquid nitrogen temperature. Three groups of methods have been studied: observation of fluorescence of aqueous solutions, precipitate and extract suspensions in organic solvents. The brightest luminescence and greatest increase in luminescence intensity are observed at freezing of complex solvents with 1,2-dioxybenzene-3,5-disulfonic acid (DBSA) and iminodiacetic acid (IDA) and DBSA+EDTA, as well as in the case of benzene extracting of complexes with phenanthroline and salicylic acid. Otherwise the intensity increases 2-14-fold and for the complex of terbium with acetoacetic ester 36-fold.

Empirical validation of the triple-code model of numerical processing for complex math operations using functional MRI and group Independent Component Analysis of the mental addition and subtraction of fractions.

Science.gov (United States)

Schmithorst, Vincent J; Brown, Rhonda Douglas

2004-07-01

The suitability of a previously hypothesized triple-code model of numerical processing, involving analog magnitude, auditory verbal, and visual Arabic codes of representation, was investigated for the complex mathematical task of the mental addition and subtraction of fractions. Functional magnetic resonance imaging (fMRI) data from 15 normal adult subjects were processed using exploratory group Independent Component Analysis (ICA). Separate task-related components were found with activation in bilateral inferior parietal, left perisylvian, and ventral occipitotemporal areas. These results support the hypothesized triple-code model corresponding to the activated regions found in the individual components and indicate that the triple-code model may be a suitable framework for analyzing the neuropsychological bases of the performance of complex mathematical tasks. Copyright 2004 Elsevier Inc.

Insectivorous bats respond to vegetation complexity in urban green spaces.

Science.gov (United States)

Suarez-Rubio, Marcela; Ille, Christina; Bruckner, Alexander

2018-03-01

Structural complexity is known to determine habitat quality for insectivorous bats, but how bats respond to habitat complexity in highly modified areas such as urban green spaces has been little explored. Furthermore, it is uncertain whether a recently developed measure of structural complexity is as effective as field-based surveys when applied to urban environments. We assessed whether image-derived structural complexity (MIG) was as/more effective than field-based descriptors in this environment and evaluated the response of insectivorous bats to structural complexity in urban green spaces. Bat activity and species richness were assessed with ultrasonic devices at 180 locations within green spaces in Vienna, Austria. Vegetation complexity was assessed using 17 field-based descriptors and by calculating the mean information gain (MIG) using digital images. Total bat activity and species richness decreased with increasing structural complexity of canopy cover, suggesting maneuverability and echolocation (sensorial) challenges for bat species using the canopy for flight and foraging. The negative response of functional groups to increased complexity was stronger for open-space foragers than for edge-space foragers. Nyctalus noctula , a species foraging in open space, showed a negative response to structural complexity, whereas Pipistrellus pygmaeus , an edge-space forager, was positively influenced by the number of trees. Our results show that MIG is a useful, time- and cost-effective tool to measure habitat complexity that complemented field-based descriptors. Response of insectivorous bats to structural complexity was group- and species-specific, which highlights the need for manifold management strategies (e.g., increasing or reinstating the extent of ground vegetation cover) to fulfill different species' requirements and to conserve insectivorous bats in urban green spaces.

A Life-Cycle Model of Human Social Groups Produces a U-Shaped Distribution in Group Size.

Directory of Open Access Journals (Sweden)

Gul Deniz Salali

Full Text Available One of the central puzzles in the study of sociocultural evolution is how and why transitions from small-scale human groups to large-scale, hierarchically more complex ones occurred. Here we develop a spatially explicit agent-based model as a first step towards understanding the ecological dynamics of small and large-scale human groups. By analogy with the interactions between single-celled and multicellular organisms, we build a theory of group lifecycles as an emergent property of single cell demographic and expansion behaviours. We find that once the transition from small-scale to large-scale groups occurs, a few large-scale groups continue expanding while small-scale groups gradually become scarcer, and large-scale groups become larger in size and fewer in number over time. Demographic and expansion behaviours of groups are largely influenced by the distribution and availability of resources. Our results conform to a pattern of human political change in which religions and nation states come to be represented by a few large units and many smaller ones. Future enhancements of the model should include decision-making rules and probabilities of fragmentation for large-scale societies. We suggest that the synthesis of population ecology and social evolution will generate increasingly plausible models of human group dynamics.

A minimalist functional group (MFG) approach for surrogate fuel formulation

KAUST Repository

Abdul Jameel, Abdul Gani

2018-03-20

Surrogate fuel formulation has drawn significant interest due to its relevance towards understanding combustion properties of complex fuel mixtures. In this work, we present a novel approach for surrogate fuel formulation by matching target fuel functional groups, while minimizing the number of surrogate species. Five key functional groups; paraffinic CH, paraffinic CH, paraffinic CH, naphthenic CH–CH and aromatic C–CH groups in addition to structural information provided by the Branching Index (BI) were chosen as matching targets. Surrogates were developed for six FACE (Fuels for Advanced Combustion Engines) gasoline target fuels, namely FACE A, C, F, G, I and J. The five functional groups present in the fuels were qualitatively and quantitatively identified using high resolution H Nuclear Magnetic Resonance (NMR) spectroscopy. A further constraint was imposed in limiting the number of surrogate components to a maximum of two. This simplifies the process of surrogate formulation, facilitates surrogate testing, and significantly reduces the size and time involved in developing chemical kinetic models by reducing the number of thermochemical and kinetic parameters requiring estimation. Fewer species also reduces the computational expenses involved in simulating combustion in practical devices. The proposed surrogate formulation methodology is denoted as the Minimalist Functional Group (MFG) approach. The MFG surrogates were experimentally tested against their target fuels using Ignition Delay Times (IDT) measured in an Ignition Quality Tester (IQT), as specified by the standard ASTM D6890 methodology, and in a Rapid Compression Machine (RCM). Threshold Sooting Index (TSI) and Smoke Point (SP) measurements were also performed to determine the sooting propensities of the surrogates and target fuels. The results showed that MFG surrogates were able to reproduce the aforementioned combustion properties of the target FACE gasolines across a wide range of conditions

A minimalist functional group (MFG) approach for surrogate fuel formulation

KAUST Repository

Abdul Jameel, Abdul Gani; Naser, Nimal; Issayev, Gani; Touitou, Jamal; Ghosh, Manik Kumer; Emwas, Abdul-Hamid M.; Farooq, Aamir; Dooley, Stephen; Sarathy, Mani

2018-01-01

Surrogate fuel formulation has drawn significant interest due to its relevance towards understanding combustion properties of complex fuel mixtures. In this work, we present a novel approach for surrogate fuel formulation by matching target fuel functional groups, while minimizing the number of surrogate species. Five key functional groups; paraffinic CH, paraffinic CH, paraffinic CH, naphthenic CH–CH and aromatic C–CH groups in addition to structural information provided by the Branching Index (BI) were chosen as matching targets. Surrogates were developed for six FACE (Fuels for Advanced Combustion Engines) gasoline target fuels, namely FACE A, C, F, G, I and J. The five functional groups present in the fuels were qualitatively and quantitatively identified using high resolution H Nuclear Magnetic Resonance (NMR) spectroscopy. A further constraint was imposed in limiting the number of surrogate components to a maximum of two. This simplifies the process of surrogate formulation, facilitates surrogate testing, and significantly reduces the size and time involved in developing chemical kinetic models by reducing the number of thermochemical and kinetic parameters requiring estimation. Fewer species also reduces the computational expenses involved in simulating combustion in practical devices. The proposed surrogate formulation methodology is denoted as the Minimalist Functional Group (MFG) approach. The MFG surrogates were experimentally tested against their target fuels using Ignition Delay Times (IDT) measured in an Ignition Quality Tester (IQT), as specified by the standard ASTM D6890 methodology, and in a Rapid Compression Machine (RCM). Threshold Sooting Index (TSI) and Smoke Point (SP) measurements were also performed to determine the sooting propensities of the surrogates and target fuels. The results showed that MFG surrogates were able to reproduce the aforementioned combustion properties of the target FACE gasolines across a wide range of conditions

A chemical–biological similarity-based grouping of complex substances as a prototype approach for evaluating chemical alternatives† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6gc01147k Click here for additional data file.

Science.gov (United States)

Grimm, Fabian A.; Iwata, Yasuhiro; Sirenko, Oksana; Chappell, Grace A.; Wright, Fred A.; Reif, David M.; Braisted, John; Gerhold, David L.; Yeakley, Joanne M.; Shepard, Peter; Seligmann, Bruce; Roy, Tim; Boogaard, Peter J.; Ketelslegers, Hans B.; Rohde, Arlean M.

2016-01-01

Comparative assessment of potential human health impacts is a critical step in evaluating both chemical alternatives and existing products on the market. Most alternatives assessments are conducted on a chemical-by-chemical basis and it is seldom acknowledged that humans are exposed to complex products, not individual substances. Indeed, substances of Unknown or Variable composition, Complex reaction products, and Biological materials (UVCBs) are ubiquitous in commerce yet they present a major challenge for registration and health assessments. Here, we present a comprehensive experimental and computational approach to categorize UVCBs according to global similarities in their bioactivity using a suite of in vitro models. We used petroleum substances, an important group of UVCBs which are grouped for regulatory approval and read-across primarily on physico-chemical properties and the manufacturing process, and only partially based on toxicity data, as a case study. We exposed induced pluripotent stem cell-derived cardiomyocytes and hepatocytes to DMSO-soluble extracts of 21 petroleum substances from five product groups. Concentration-response data from high-content imaging in cardiomyocytes and hepatocytes, as well as targeted high-throughput transcriptomic analysis of the hepatocytes, revealed distinct groups of petroleum substances. Data integration showed that bioactivity profiling affords clustering of petroleum substances in a manner similar to the manufacturing process-based categories. Moreover, we observed a high degree of correlation between bioactivity profiles and physico-chemical properties, as well as improved groupings when chemical and biological data were combined. Altogether, we demonstrate how novel in vitro screening approaches can be effectively utilized in combination with physico-chemical characteristics to group complex substances and enable read-across. This approach allows for rapid and scientifically-informed evaluation of health impacts of

Platinum-group elements and gold in base metal sulfides, platinum-group minerals, and Re-Os isotope compositions of the Uitkomst complex, South Africa

Czech Academy of Sciences Publication Activity Database

Trubač, Jakub; Ackerman, Lukáš; Gauert, Ch.; Ďurišová, Jana; Hrstka, Tomáš

2018-01-01

Roč. 113, č. 2 (2018), s. 439-461 ISSN 0361-0128 R&D Projects: GA ČR GA13-15390S Institutional support: RVO:67985831 Keywords : binary alloys * copper compounds * economic geology * gold * iridium * isotopes * ore deposits * osmium * palladium * platinum * platinum metals * pyrites * Rhenium * rhenium alloys * ruthenium * solid solutions * sulfur compounds * crustal materials * mass-balance calculations * massive sulfides * mineralized zone * monosulfide solid solutions * platinum group elements * platinum group elements (PGEs) * platinum group minerals Subject RIV: DB - Geology ; Mineralogy; AC - Archeology, Anthropology, Ethnology (ARUB-Q) OBOR OECD: Geology; Archaeology (ARUB-Q) Impact factor: 2.519, year: 2016

Complex manifolds in relativity

International Nuclear Information System (INIS)

Flaherty, E.J. Jr.

1975-01-01

Complex manifold theory is applied to the study of certain problems in general relativity. The first half of the work is devoted to the mathematical theory of complex manifold. Then a brief review of general relativity is given. It is shown that any spacetime admits locally an almost Hermitian structure, suitably modified to be compatible with the indefinite metric of spacetime. This structure is integrable if and only if the spacetime admits two geodesic and shearfree null congruences, thus in particular if the spacetime is type D vacuum or electrified. The structure is ''half-integrable'' in a suitable sense if and only if the spacetime admits one geodesic and shearfree null congruence, thus in particular for all algebraically special vacuum spacetimes. Conditions for the modified Hermitian spacetime to be Kahlerian are presented. The most general metric for such a modified Kahlerian spacetime is found. It is shown that the type D vacuum and electrified spacetimes are conformally related to modified Kahlerian spacetimes by a generally complex conformal factor. These latter are shown to possess a very rich structure, including the existence of Killing tensors and Killing vectors. A new ''explanation'' of Newman's complex coordinate transformations is given. It is felt to be superior to previous ''explanations'' on several counts. For example, a physical interpretation in terms of a symmetry group is given. The existence of new complex coordinate transformations is established: Nt is shown that any type D vacuum spacetime is obtainable from either Schwarzschild spacetime or ''C'' spacetime by a complex coordinate transformation. Finally, some related topics are discussed and areas for future work are outlined. (Diss. Abstr. Int., B)

Phonological Processes in Complex and Compound Words

Directory of Open Access Journals (Sweden)

Alieh Kord Zaferanlu Kambuziya

2016-02-01

Full Text Available Abstract This research at making a comparison between phonological processes in complex and compound Persian words. Data are gathered from a 40,000-word Persian dictionary. To catch some results, 4,034 complex words and 1,464 compound ones are chosen. To count the data, "excel" software is used. Some results of the research are: 1- "Insertion" is the usual phonological process in complex words. More than half of different insertions belongs to the consonant /g/. Then /y/ and // are in the second and the third order. The consonant /v/ has the least percentage of all. The most percentage of vowel insertion belongs to /e/. The vowels /a/ and /o/ are in the second and third order. Deletion in complex words can only be seen in consonant /t/ and vowel /e/. 2- The most frequent phonological processes in compounds is consonant deletion. In this process, seven different consonants including /t/, //, /m/, /r/, / ǰ/, /d, and /c/. The only deleted vowel is /e/. In both groups of complex and compound, /t/ deletion can be observed. A sequence of three consonants paves the way for the deletion of one of the consonants, if one of the sequences is a sonorant one like /n/, the deletion process rarely happens. 3- In complex words, consonant deletion causes a lighter syllable weight, whereas vowel deletion causes a heavier syllable weight. So, both of the processes lead to bi-moraic weight. 4- The production of bi-moraic syllable in Persian is preferable to Syllable Contact Law. So, Specific Rules have precedence to Universals. 5- Vowel insertion can be seen in both groups of complex and compound words. In complex words, /e/ insertion has the most fundamental part. The vowels /a/ and /o/ are in the second and third place. Whenever there are two sequences of ultra-heavy syllables. By vowel insertion, the first syllable is broken into two light syllables. The compounds that are influenced by vowel insertion, can be and are pronounced without any insertion

The Drosophila bipectinata species complex: phylogenetic ...

Indian Academy of Sciences (India)

Navya

*For Correspondence. e-mail: bashisthsingh2004@rediffmail.com, ... A species complex constitutes groups of closely related species which have diverged ..... there is a strong reproductive isolation too (See review by Singh and Banerjee 2016) .... figure both the loops touch the chromocenter and in our microphotograph ...

Exceptional groups and elementary-particle structures

Energy Technology Data Exchange (ETDEWEB)

Biedenharn, L.C.; Truini, P.

1981-09-01

A new finite-dimensional quantum mechanical space is constructed over the complex octonionic plane using the recently developed algebraic techniques of Jordan pairs and inner ideals. The automorphism group of this structure is E/sub 6/ x U(1), realized on precisely two E/sub 6/ irreps which is abstracted as a (topless) model for grand unification.

Summary of the Nevada Applied Ecology Group and correlative programs

International Nuclear Information System (INIS)

Friesen, H.N.

1992-10-01

This summary document presents results in a broad context; it is not limited to findings of the Nevada Applied Ecology Group. This book is organized to present the findings of the Nevada Applied Ecology Group and correlative programs in accordance with the originally stated objectives of the Nevada Applied Ecology Group. This plan, in essence, traces plutonium from its injection into the environment to movement in the ecosystem to development of cleanup techniques. Information on other radionuclides was also obtained and will be presented briefly. Chapter 1 presents a brief description of the ecological setting of the Test Range Complex. The results of investigations for plutonium distribution are presented in Chapter 2 for the area surrounding the Test Range Complex and in Chapter 3 for on-site locations. Chapters 4 and 5 present the results of investigations concerned with concentrations and movement, respectively, of plutonium in the ecosystem of the Test Range Complex, and Chapter 6 summarizes the potential hazard from this plutonium. Development of techniques for cleanup and treatment is presented in Chapter 7, and the inventory of radionuclides other than plutonium is presented briefly in Chapter 8

Synthesis, characterization and properties of novel amide derivatives based open-chain crown ether and their Tb (III) complexes

International Nuclear Information System (INIS)

Liu, Yanhong; He, Wei; Yang, Zehui; Chen, Yanwen; Wang, Xinwei; Guo, Dongcai

2015-01-01

Six amide-based open-chain crown ether and their solid complexes with terbium nitrates were synthesized. The target complexes were characterized by elemental analysis, mass spectra, EDTA titrimetric analysis, thermal analysis, molar conductivity, infrared spectra and UV–vis spectra. Luminescence properties of the ligands and the corresponding complexes in solid were studied. The results showed that the introduction of electron-donating group to the ligand enhanced the luminescence intensity of the corresponding complex, but electron-withdrawing group conversely. Meanwhile, among all complexes, the luminescence quantum yield of the complex Tb(NO 3 ) 3 Y 1 was highest up to 0.76. Electrochemical properties were also investigated, and the results showed that the introduction of electron-donating group to the ligand enhanced the highest occupied molecular orbit (HOMO) and the lowest unoccupied molecular orbit (LUMO) energy level, but electron-withdrawing group conversely. And these target complexes may possibly be useful for studying in organic light-emitting devices field. - Highlights: • Novel amide derivatives based open-chain crown ether and their Tb (III) complexes were prepared and characterized. • The target complexes presented high thermodynamic stability. • Influence of the substituent on luminescence intensity and electrochemical property were discussed

Spectroscopic Studies on Complex Formation of U(VI)-thiosalicylate

Energy Technology Data Exchange (ETDEWEB)

Cha, Wan Sik; Cho, Hye Ryun; Park, Kyoung Kyun; Jung, Euo Chang [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2011-05-15

The dynamic interaction between radionuclides and organic ligands is largely dependent on the composition of functional groups in a ligand chemical structure. Therefore, the structural mimics of natural ligands possessing specific functional groups, such as hydroxy, phenol, carboxyl, thiol and amine groups, have been studied to understand their influence on the migration of radionuclides including actinide species under geological groundwater conditions. In previous studies, we demonstrated that the fraction of hydrolyzed U(VI) species occurring in weak acidic solutions (pH {approx}4.5) is significantly influenced by the presence of salicylate (Sal) ligand due to the simultaneous participation of both phenol and carboxyl groups in the formation of U(VI)-complexes. Thiosalicylic acid (TSalH{sub 2}) is a good model compound for studying the effects of both carboxyl and thiol (-SH) groups. The fraction of di-anionic ligand form (TSal{sup 2-}) is higher at near neutral pH due to the lower pKa ({approx} 8) of the thiol group than the case of salicylic acid (pKa, {approx}13 for salicylic -OH), despite the structural similarity. In addition, the redox capability of the thiol group is expected to influence the reducible radiouclides and the chemical structures of natural ligands by creating cross-linkage (-S-S-) upon oxidation. The goal of the present study is to investigate aqueous U(VI)-TSal complexation equilibrium via laser-based spectroscopic techniques including time resolved laser-induced fluorescence spectroscopy (TRLFS). In this preliminary work, we report the results of spectroscopic studies using conventional UVVis absorbance and fluorescence (FL) measurement methods. The photo-stability of U(VI)-TSal complex or ligand itself upon exposure to a series of laser pulses is estimated by monitoring the change in their absorption bands. Additionally, TSal FL-quenching effect by U(VI) ions is discussed in comparison with that of Sal FL-quenching

Radical bonding: structure and stability of bis(phenalenyl) complexes of divalent metals from across the periodic table.

Science.gov (United States)

Craciun, Smaranda; Donald, Kelling J

2009-07-06

We examine the bonding possibilities of the bis(phenalenyl) MP(2) sandwich complexes of the divalent metals M = Be, Mg, Ca, Sr, Ba, Zn, Cd, and Hg, at the B3LYP level of theory. The outcome is an extraordinarily diverse class of low symmetry bis(phenalenyl)metal complexes in which bonding preferences and binding enthalpies differ dramatically. The lowest energy group 2 metal MP(2) complexes include an intriguing eta(1),eta(3) BeP(2) structure, and bent eta(6),eta(6) systems for M = Ca, Sr, and Ba. The group 12 bis(phenalenyl) complexes are thermodynamically unstable eta(1),eta(1) slip-sandwich structures. To better understand changes in the structural preferences going from the (eta(6),eta(6)) group 2 to the (eta(1),eta(1)) group 12 complexes, we explored the bonding in the bis(phenalenyl) complexes of transition metals with stable +2 oxidations states between Ca and Zn in period 4. The computed binding enthalpies are large and negative for nearly all of the minimum energy bis(phenalenyl) complexes of the group 2 and the transition metals; they are tiny for MgP(2), and are quite positive for the group 12 systems. The structural preferences and stability of the complexes is a subtle negotiation of several influences: the (un)availability of (n - 1)d and np, orbitals for bonding, the cost of the rehybridization at carbon sites in the phenalenyl rings in preparation for bonding to the metals, and the (P---P) interaction between the phenalenyl radicals.

Elucidating the role of the phenylacetic acid metabolic complex in the pathogenic activity of Rhizoctonia solani anastomosis group 3.

Science.gov (United States)

Bartz, Faith E; Glassbrook, Norman J; Danehower, David A; Cubeta, Marc A

2012-01-01

The soil fungus Rhizoctonia solani produces phytotoxic phenylacetic acid (PAA) and hydroxy (OH-) and methoxy (MeO-) derivatives of PAA. However, limited information is available on the specific role that these compounds play in the development of Rhizoctonia disease symptoms and concentration(s) required to induce a host response. Reports that PAA inhibits the growth of R. solani conflict with the established ability of the fungus to produce and metabolize PAA. Experiments were conducted to clarify the role of the PAA metabolic complex in Rhizoctonia disease. In this study the concentration of PAA and derivatives required to induce tomato root necrosis and stem canker, in the absence of the fungus, and the concentration that inhibits mycelial growth of R. solani were determined. The effect of exogenous PAA and derivatives of PAA on tomato seedling growth also was investigated. Growth of tomato seedlings in medium containing 0.1-7.5 mM PAA and derivatives induced necrosis of up to 85% of root system. Canker development resulted from injection of tomato seedling stems with 7.5 mM PAA, 3-OH-PAA, or 3-MeO-PAA. PAA in the growth medium reduced R. solani biomass, with 50% reduction observed at 7.5 mM. PAA, and derivatives were quantified from the culture medium of 14 isolates of R. solani belonging to three distinct anastomosis groups by GC-MS. The quantities ranged from below the limit of detection to 678 nM, below the concentrations experimentally determined to be phytotoxic. Correlation analyses revealed that isolates of R. solani that produced high PAA and derivatives in vitro also caused high mortality on tomato seedlings. The results of this investigation add to the body of evidence that the PAA metabolic complex is involved in Rhizoctonia disease development but do not indicate that production of these compounds is the primary or the only determinant of pathogenicity.

Globalisation in the Lecture Room? Gender and Cultural Diversity in Work Groups

Science.gov (United States)

Umans, Timurs

2011-01-01

This paper empirically investigates the relationship between cultural and gender diversity and performance in groups of business students working on complex assignments. The study finds that gender diversity in student groups has a positive influence on group outcomes, while cultural diversity, irrespective of its conceptualisation, leads to…

Making mobility-related disability better: a complex response to a complex problem.

Science.gov (United States)

Rockwood, Kenneth

2012-10-15

Mobility disability in older adults can arise from single system problems, such as discrete musculoskeletal injury. In frail older adults, however, mobility disability is part of a complex web of problems. The approach to their rehabilitation must take that complexity into account, as is reported by Fairhall et al. First, their overall health state must be assessed, which is achieved by a comprehensive geriatric assessment. The assessment can show how a particular patient came to be disabled, so that an individualized care plan can be worked out. Whether this approach works in general can be evaluated by looking at group differences in mean mobility test scores. Knowing whether it has worked in the individual patient requires an individualized measure. This is because not every patient starts from the same point, and not every patient achieves success by aiming for the same goal. For one patient, walking unassisted for three metres would be a triumph; for another it would be a tragedy. Unless we understand the complexity of the needs of frail older adults, we will neither be able to treat them effectively nor evaluate our efforts sensibly.Please see related article http://www.biomedcentral.com/1741-7015/10/120.

Generalizations of the BMS group and results

International Nuclear Information System (INIS)

Melas, E

2006-01-01

The ordinary Bondi-Metzner-Sachs (BMS) group B is the common asymptotic symmetry group of all radiating, asymptotically flat, Lorentzian space-times. As such, B is the best candidate for the universal symmetry group of General Relativity. However, in studying quantum gravity, space-times with signatures other than the usual Lorentzian one, and complex space-times, are frequently considered. Generalisations of B appropriate to these other signatures have been defined earlier. In particular, the generalization B(2, 2) appropriate to the ultrahyperbolic signature (+, +, -, -) has been described in detail, and the study of its irreducible unitary representations (IRs) has been initiated. The infinite little groups of B(2, 2) have been given explicitly but its finite little groups have only been partially described. All the information needed in order to construct the finite little groups is given. Possible connections with gravitational instantons are being put forward

Synthesis and reactivity of uranium (III) cyclopentadienyl complexes

International Nuclear Information System (INIS)

Foyentin, M.

1987-01-01

New uranium organometallic complexes are synthetized from the addition compound Cp U (THF). Reactions with lithium compounds, chlorides, alkynes and borohydrides. Oxidizing addition reactions are evidenced with alkyl halogenides. With a strong reducing agent, the complex Cp-UCH-Li allows the fixation and the reduction of nitrogen into ammonia. Lability of ligands bound to U (III) is evidenced, giving very reactive species and hence catalytic properties for these compounds. Catalytic hydrogenation of olefins is studied. Substitution reactions of alkyl groups of these complexes with olefins in presence or not of hydrogen or with alkyllithium are original [fr

Synthesis and evaluation of gadolinium complexes based on PAMAM as MRI contrast agents.

Science.gov (United States)

Yan, Guo-Ping; Hu, Bin; Liu, Mai-Li; Li, Li-Yun

2005-03-01

Diethylenetriaminepentaacetic acid (DTPA) and pyridoxamine (PM) were incorporated into the amine groups on the surface of ammonia-core poly(amidoamine) dendrimers (PAMAM, Generation 2.0-5.0) to obtain dendritic ligands. These dendritic ligands were reacted with gadolinium chloride to yield the corresponding dendritic gadolinium (Gd) complexes. The dendritic ligands and their gadolinium complexes were characterized by(1)HNMR, IR, UV and elemental analysis. Relaxivity studies showed that the dendritic gadolinium complexes possessed higher relaxation effectiveness compared with the clinically used Gd-DTPA. After administration of the dendritic gadolinium complexes (0.09 mmol kg(-1) ) to rats, magnetic resonance imaging of the liver indicated that the dendritic gadolinium complexes containing pyridoxamine groups enhanced the contrast of the MR images of the liver, provided prolonged intravascular duration and produced highly contrasted visualization of blood vessels.

Emergence of grouping in multi-resource minority game dynamics

Science.gov (United States)

Huang, Zi-Gang; Zhang, Ji-Qiang; Dong, Jia-Qi; Huang, Liang; Lai, Ying-Cheng

2012-10-01

Complex systems arising in a modern society typically have many resources and strategies available for their dynamical evolutions. To explore quantitatively the behaviors of such systems, we propose a class of models to investigate Minority Game (MG) dynamics with multiple strategies. In particular, agents tend to choose the least used strategies based on available local information. A striking finding is the emergence of grouping states defined in terms of distinct strategies. We develop an analytic theory based on the mean-field framework to understand the ``bifurcations'' of the grouping states. The grouping phenomenon has also been identified in the Shanghai Stock-Market system, and we discuss its prevalence in other real-world systems. Our work demonstrates that complex systems obeying the MG rules can spontaneously self-organize themselves into certain divided states, and our model represents a basic and general mathematical framework to address this kind of phenomena in social, economical and political systems.

[Comparative study of some clinical and laboratory indicators in a group of patients using wells as source of drinking water and a control group using safe water].

Science.gov (United States)

Vasilescu, L; Ciochină, D A

2011-01-01

In time, well water, as a source of drinking and coking water, with physical-chemical, bacteriological, and biological indicators suggestive of alteration in water potability, determines complex, sometimes irreversible, metabolic disorders. Sixty individuals residing in a rural community were divided into 2 groups: study group -30 subjects using well water, and control group--30 subjects using safe water. For the study group the selection criteria were: age, sex, use of well water as drinking and cooking water, history suggestive of chronic poisoning (pregnancy course, birth weight, susceptibility to infectious agents, and current chronic diseases). In the study group, gestosis, prematurity, and altered body mass index are more frequent as compared to the subjects in the control group. The identified laboratory changes indicate moderate anemia, hepatic cytolysis, dyslipidemia, presence of nitrites in urine, and positive urine cultures. Long-term use of water with mineral constituents in excess, absent, or inadequate, the direct biological and chemical water pollution, or most frequently the indirect pollution through the soil determine, in time, complex, sometimes irreversible, metabolic disorders.

Theoretical study of inverted sandwich type complexes of 4d transition metal elements: interesting similarities to and differences from 3d transition metal complexes.

Science.gov (United States)

Kurokawa, Yusaku I; Nakao, Yoshihide; Sakaki, Shigeyoshi

2012-03-08

Inverted sandwich type complexes (ISTCs) of 4d metals, (μ-η(6):η(6)-C(6)H(6))[M(DDP)](2) (DDPH = 2-{(2,6-diisopropylphenyl)amino}-4-{(2,6-diisopropylphenyl)imino}pent-2-ene; M = Y, Zr, Nb, Mo, and Tc), were investigated with density functional theory (DFT) and MRMP2 methods, where a model ligand AIP (AIPH = (Z)-1-amino-3-imino-prop-1-ene) was mainly employed. When going to Nb (group V) from Y (group III) in the periodic table, the spin multiplicity of the ground state increases in the order singlet, triplet, and quintet for M = Y, Zr, and Nb, respectively, like 3d ISTCs reported recently. This is interpreted with orbital diagram and number of d electrons. However, the spin multiplicity decreases to either singlet or triplet in ISTC of Mo (group VI) and to triplet in ISTC of Tc (group VII), where MRMP2 method is employed because the DFT method is not useful here. These spin multiplicities are much lower than the septet of ISTC of Cr and the nonet of that of Mn. When going from 3d to 4d, the position providing the maximum spin multiplicity shifts to group V from group VII. These differences arise from the size of the 4d orbital. Because of the larger size of the 4d orbital, the energy splitting between two d(δ) orbitals of M(AIP) and that between the d(δ) and d(π) orbitals are larger in the 4d complex than in the 3d complex. Thus, when occupation on the d(δ) orbital starts, the low spin state becomes ground state, which occurs at group VI. Hence, the ISTC of Nb (group V) exhibits the maximum spin multiplicity.

Positron annihilation studies of some charge transfer molecular complexes

CERN Document Server

El-Sayed, A; Boraei, A A A

2000-01-01

Positron annihilation lifetimes were measured for some solid charge transfer (CT) molecular complexes of quinoline compounds (2,6-dimethylquinoline, 6-methoxyquinoline, quinoline, 6-methylquinoline, 3-bromoquinoline and 2-chloro-4-methylquinoline) as electron donor and picric acid as an electron acceptor. The infrared spectra (IR) of the solid complexes clearly indicated the formation of the hydrogen-bonding CT-complexes. The annihilation spectra were analyzed into two lifetime components using PATFIT program. The values of the average and bulk lifetimes divide the complexes into two groups according to the non-bonding ionization potential of the donor (electron donating power) and the molecular weight of the complexes. Also, it is found that the ionization potential of the donors and molecular weight of the complexes have a conspicuous effect on the average and bulk lifetime values. The bulk lifetime values of the complexes are consistent with the formation of stable hydrogen-bonding CT-complexes as inferred...

Platinum-group element mineralization

International Nuclear Information System (INIS)

Gruenewaldt, G.

1985-01-01

The purpose of this investigation is to determine the geological processes responsible for the abnormal enrichment of the platinum-group elements (PGE) in the mineralized layers of the Bushveld Complex. Questions asked are: what processes caused enrichment of the Bushveld magma in the PGE ; by what processes were these PGE concentrated in the mineralized layers ; was contamination of the Bushveld magma from external sources important in the formation of the PGE enriched layers ; what are the effects of fractional crystallization on the PGE ratios

Open problems and results in the group theoretic approach to quantum gravity via the BMS group and its generalizations

International Nuclear Information System (INIS)

Melas, Evangelos

2011-01-01

The Bondi-Metzner-Sachs group B is the common asymptotic group of all asymptotically flat (lorentzian) space-times, and is the best candidate for the universal symmetry group of General Relativity. However, in quantum gravity, complexified or euclidean versions of General Relativity are frequently considered. McCarthy has shown that there are forty-two generalizations of B for these versions of the theory and a variety of further ones, either real in any signature, or complex. A firm foundation for quantum gravity can be laid by following through the analogue of Wigner's programme for special relativity with B replacing the Poincare group P. Here the main results which have been obtained so far in this research programme are reported and the more important open problems are stated.

Identifying the most critical project complexity factors using Delphi method: the Iranian construction industry

Directory of Open Access Journals (Sweden)

Mohammad Mehdi Mozaffari

2012-09-01

Full Text Available Complexity is one of the most important issues influencing success of any construction project and there are literally different studies devoted to detect important factors increasing complexity of projects. During the past few years, there have been growing interests in developing mass construction projects in Iran. The proposed study of this paper uses Delphi technique to find out about important factors as barriers of construction projects in Iran. The results show that among 47 project complexity factors, 19 factors are more important than others are. The study groups different factors into seven categories including environmental, organizational, objectives, tasks, stakeholders, technological, information systems and determines the relative importance of each. In each group, many other sub group activities are determined and they are carefully investigated. The study provides some detailed suggestions on each category to reduce the complexity of construction project.

Density functional study of uranyl (VI) amidoxime complexes

International Nuclear Information System (INIS)

Chi Fang-Ting; Xiong Jie; Hu Sheng; Xia Xiu-Long; Wang Xiao-Lin; Li Peng; Gao Tao

2012-01-01

Uranyl (VI) amidoxime complexes are investigated using relativistic density functional theory. The equilibrium structures, bond orders, and Mulliken populations of the complexes have been systematically investigated under a generalized gradient approximation (GGA). Comparison of (acet) uranyl amidoxime complexes ([UO 2 (AO) n ] 2−n , 1 ≤ n ≤ 4) with available experimental data shows an excellent agreement. In addition, the U−O(1), U−O(3), C(1)−N(2), and C(3)−N(4) bond lengths of [UO 2 (CH 3 AO) 4 ] 2− are longer than experimental data by about 0.088, 0.05, 0.1, and 0.056 Å. The angles of N(3)−O(3)−U, O(2)−N(1)−C(1), N(3)−C(3)−N(4), N(4)−C(3)−C(4), and C(4)−C(3)−N(3) are different from each other, which is due to existing interaction between oxygen in uranyl and hydrogen in amino group. This interaction is found to be intra-molecular hydrogen bond. Studies on the bond orders, Mulliken charges, and Mulliken populations demonstrate that uranyl oxo group functions as hydrogen-bond acceptors and H atoms in ligands act as hydrogen-bond donors forming hydrogen bonds within the complex

Irritability Levels of Field and Laboratory Population of Culex pipiens Complex in Tehran to Different Groups of Insecticides

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Sara Rahimi

2016-01-01

Full Text Available Background: The irritant effect of some insecticides can cause a proportion of mosquitoes to leave the sprayed rooms before acquiring a lethal dose, so the repeated contact al sub-lethal dose may lead to extent the resistance.Methods: Larvae and pupae of Culex pipiens complex were collected in mass from open canals of waste water in capital city Tehran and reared to obtain the first generation at laboratory. Sugar-fed 2–3 days female mosquitoes were used for the experiments and compared with laboratory strain. The irritability tests of insecticides impregnated pa­pers were measured in plastic conical exposure chambers placed which implemented at controlled conditions ac­cording  to  the  method  described  by WHO .Number of take-offs were counted during 15  minutes of exposure  time.Results: DDT had the most irritancy effect against field population of Cx. pipiens. DDT, permethrin and deltamethrin was moderately irritable against laboratory strain, whereas, addition to three previous insecticides, malathion, cyfluthrin and propoxur should be also considered as moderately irritable insecticides for field population of. Irritability level of etofenprox, fenithrothion, bendiocarb, and lambdacyhalothrin did not differ from control group.Conclusion: The irritability response of mosquitoes may have a negative impact on control measures. Periodical execution of irritability tests with insecticides that routinely used in vector control program is highly recommended.

On spin and matrix models in the complex plane

International Nuclear Information System (INIS)

Damgaard, P.H.; Heller, U.M.

1993-01-01

We describe various aspects of statistical mechanics defined in the complex temperature or coupling-constant plane. Using exactly solvable models, we analyse such aspects as renormalization group flows in the complex plane, the distribution of partition function zeros, and the question of new coupling-constant symmetries of complex-plane spin models. The double-scaling form of matrix models is shown to be exactly equivalent to finite-size scaling of two-dimensional spin systems. This is used to show that the string susceptibility exponents derived from matrix models can be obtained numerically with very high accuracy from the scaling of finite-N partition function zeros in the complex plane. (orig.)

Sequences, groups, and number theory

CERN Document Server

Rigo, Michel

2018-01-01

This collaborative book presents recent trends on the study of sequences, including combinatorics on words and symbolic dynamics, and new interdisciplinary links to group theory and number theory. Other chapters branch out from those areas into subfields of theoretical computer science, such as complexity theory and theory of automata. The book is built around four general themes: number theory and sequences, word combinatorics, normal numbers, and group theory. Those topics are rounded out by investigations into automatic and regular sequences, tilings and theory of computation, discrete dynamical systems, ergodic theory, numeration systems, automaton semigroups, and amenable groups.  This volume is intended for use by graduate students or research mathematicians, as well as computer scientists who are working in automata theory and formal language theory. With its organization around unified themes, it would also be appropriate as a supplemental text for graduate level courses.

Quantum-chemical analysis of formation reactions of Со2+ complexes

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Viktor F. Vargalyuk

2017-11-01

Full Text Available Based on the analysis of quantum chemical calculations results (GAMESS, density functional theory, B3LYP method as to coordination compounds of Co2+ions with H2O, NH3, OH–, F–, Cl–, Br–, I–, CN–, Ac–, Ak– generally given by [Co(H2O6–nLn]2+nx, it has been demonstrated that within the selected series of ligands, there is no correlation between the amount of energy of monosubstituted cobalt aqua complexes formation(∆Е and pK1,just like between the effective nuclear charge of the central atom (z*Со and pK1. According to the behavior of ∆Е and z*Со,we identified two groups of ligands. The first group (OH–, F–, Ac–, Ak–, CN–, NH3 demonstrates logical ∆Е decrease caused by the growth of z*Со. On the contrary, the second group (Cl–, Br–, I– demonstrates ∆Е increase caused by the growth of z*Со. This phenomenon is explained by the change in electronegativity and polarizability of donor atoms in groups and periods of the periodic table. It is established that linear correlations given by lgK = A + B·z*Со can be actualized only for complexes having ligands with similar donor atoms. Referring to the literature on stepwise complex formation of hydroxide, amine and chloride cobalt complexes in combination with z*Со calculations results, we determined A and B constants of lgK, z*Со-correlations for the atoms of oxygen (30.2, –17.7; nitrogen (125.4, –69.9 and chlorine (–6.3, 5.8. The existence of the detected correlation series enables us to lean on lgK,z*М–dependence parameters for the fixed donor atom and to determine Kn values for various complexes with complex-based ligands using calculations and z*М data. This applies to complexes having central atoms of the same nature as well as simple monodentate ligands. The mentioned approach was used to calculate the stability constants for acrylate cobalt complexes (lgK1 = 1.2 и lgК2 = 4.3, which are not covered in literature.

Decomposition of overlapping protein complexes: A graph theoretical method for analyzing static and dynamic protein associations

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Guimarães Katia S

2006-04-01

Full Text Available Abstract Background Most cellular processes are carried out by multi-protein complexes, groups of proteins that bind together to perform a specific task. Some proteins form stable complexes, while other proteins form transient associations and are part of several complexes at different stages of a cellular process. A better understanding of this higher-order organization of proteins into overlapping complexes is an important step towards unveiling functional and evolutionary mechanisms behind biological networks. Results We propose a new method for identifying and representing overlapping protein complexes (or larger units called functional groups within a protein interaction network. We develop a graph-theoretical framework that enables automatic construction of such representation. We illustrate the effectiveness of our method by applying it to TNFα/NF-κB and pheromone signaling pathways. Conclusion The proposed representation helps in understanding the transitions between functional groups and allows for tracking a protein's path through a cascade of functional groups. Therefore, depending on the nature of the network, our representation is capable of elucidating temporal relations between functional groups. Our results show that the proposed method opens a new avenue for the analysis of protein interaction networks.

Studies on polyaspartamide gadolinium complexes as potential magnetic resonance imaging contrast agents

International Nuclear Information System (INIS)

Yan Guoping; Liu Maili; Li Liyun

2005-01-01

Purpose: A series of polyaspartamide gadolinium complexes containing pyridoxamine groups were studied as the potential magnetic resonance imaging (MRI) contrast agents for liver enhancement. Methods: These polyaspartamide gadolinium complexes were prepared and evaluated by relaxivity, acute toxicity studies and magnetic resonance imaging of the liver in rats. Results: These polyaspartamide gadolinium complexes have higher relaxation effectiveness than that of the clinically used gadolinium diethylenetriaminepentaacetic acid and possess the low intravenous acute toxicities to Institute for Cancer Research (ICR) mice. Magnetic resonance imaging of the liver in rats indicated that they greatly enhance the contrast of magnetic resonance images and provide prolonged intravascular duration in the liver. Conclusion: These results indicated that the polyaspartamide gadolinium complexes containing pyridoxamine groups could be considered as the appropriate MRI contrast agents for liver enhancement

Procuring complex performance

DEFF Research Database (Denmark)

Hartmann, A.; Roehrich, J.; Frederiksen, Lars

2014-01-01

the transition process. Design/methodology/approach – A multiple, longitudinal case study method is used to examine the transition towards PCP. The study deploys rich qualitative data sets by combining semi-structured interviews, focus group meetings and organisational reports and documents. Findings...... and relational challenges they need to master when facing higher levels of performance and infrastructural complexity. Originality/value – The study adds to the limited empirical and conceptual understanding on the nature of long-term public-private interactions in PCP. It contributes through a rare focus...

The stratigraphy of the Steep Rock Group, N.W. Ontario, with evidence of a major unconformity

Science.gov (United States)

Wilks, M. E.; Nisbet, E. G.

1986-01-01

The Steep Rock Group is exposed 6 km north of Atikokan, 200 km west of Thunder Bay. It is situated on the southern margin of the Wabigoon Belt of the Archaean Superior Province, N. W. Ontario. Reinvestigation of the geology of the Group has shown that the Group lies unconformably on the Tonalite Complex to the east. This unconformity has been previously suspected, from regional and ine mapping but no conclusive outcrop evidence for its existence has as yet been published. The strike of the group, comprised of Basal Conglomerate, Carbonate Member, Ore Zone and Ashrock is generally north-northwest dipping steeply to the southwest. Of the 7 contacts between the Steep Rock Group and the Tonalite Complex, 3 expose the unconformity (The Headland, S. Roberts Pit, Trueman Point), and 4 are faulted. These three outcrops demonstrate unequivocally that the Steep Rock group was laid down unconformably on the underlying Tonalite Complex, which is circa 3 Ga old.

U-Pb SHRIMP and Sm-Nd geochronology of the Anapolis-Itaucu complex, Araxa group and associated granites: Neoproterozoic high grade metamorphism and magmatism in the Central part of the Brasilia Belt, Goias

International Nuclear Information System (INIS)

Fischel, D.P.; Pimentel, M.M.; Fuck, R.A; Armstrong, R

2001-01-01

The Tocantins Province (Almeida et al. 1981) in central Brazil is a Neoproterozoic orogenic zone developed between the Amazon and Sao Francisco cratons and possibly a third continental block, known as Parapanema Block, hidden below the sedimentary rocks of the Parana Basin. The Tocantins Province comprises the eastward vergent Brasilia Belt, adjacent to the Sao Francisco Craton (Marini et al. 1984), and the westward vergent Paraguay and Araguaia belts, developed on the eastern margin of the Amazon Craton. According to Trompette (1997), the Brasilia and Araguaia belts had sedimentation starting at around 1.1-1.0 Ga and final closure at 0.6 Ga. In the northern part of the Brasilia Belt occur the Barro Alto, Canabrava and Niquelandia maficultramafic layered complexes. Inconclusive U-Pb isotopic data indicate ages between ca. 1600 and 2000 Ma for these intrusions that were affected by highgrade metamorphism ca. 740-790 Ma ago, during the Neoproterozoic (Ferreira Filho et al. 1994; Suita et al. 1994; Correia et al. 1997). In the southern part of the Brasilia Belt, in central Goias , is the Anapolis-Itaucu granulite complex. It consists of a large complex of high-grade rocks, volcano-sedimentary sequences and granites, exposed in between metasediments of the Araxa Group, the main constituent of the internal zone of the Neoproterozoic Brasilia Belt (Fuck et al. 1994). These granulites have traditionally been interpreted as the exposure of Archean sialic basement to the sediments of the Brasilia Belt (Danni et al. 1982, Marini et al. 1984; Lacerda Filho and Oliveira 1995). This work reports the results of a regional Sm- Nd isotopic investigation and U-Pb SHRIMP data in order to assess (i) the nature of the protoliths of the Araxa Group in this area; (ii) the nature and the high grade metamorphism of rocks from Anapolis-Itaucu Complex; (iii) the crystallization and metamorphism of aluminous granites (au)

Task complexity and maximal isometric strength gains through motor learning

Science.gov (United States)

McGuire, Jessica; Green, Lara A.; Gabriel, David A.

2014-01-01

Abstract This study compared the effects of a simple versus complex contraction pattern on the acquisition, retention, and transfer of maximal isometric strength gains and reductions in force variability. A control group (N = 12) performed simple isometric contractions of the wrist flexors. An experimental group (N = 12) performed complex proprioceptive neuromuscular facilitation (PNF) contractions consisting of maximal isometric wrist extension immediately reversing force direction to wrist flexion within a single trial. Ten contractions were completed on three consecutive days with a retention and transfer test 2‐weeks later. For the retention test, the groups performed their assigned contraction pattern followed by a transfer test that consisted of the other contraction pattern for a cross‐over design. Both groups exhibited comparable increases in strength (20.2%, P < 0.01) and reductions in mean torque variability (26.2%, P < 0.01), which were retained and transferred. There was a decrease in the coactivation ratio (antagonist/agonist muscle activity) for both groups, which was retained and transferred (35.2%, P < 0.01). The experimental group exhibited a linear decrease in variability of the torque‐ and sEMG‐time curves, indicating transfer to the simple contraction pattern (P < 0.01). The control group underwent a decrease in variability of the torque‐ and sEMG‐time curves from the first day of training to retention, but participants returned to baseline levels during the transfer condition (P < 0.01). However, the difference between torque RMS error versus the variability in torque‐ and sEMG‐time curves suggests the demands of the complex task were transferred, but could not be achieved in a reproducible way. PMID:25428951

Malaysian group looks to invest in China petchems venture

International Nuclear Information System (INIS)

Alperowicz, N.

1992-01-01

The Kuok Group, owned by Malaysian tycoon Robert Kuok, has emerged as the latest potential investor in a petrochemicals joint venture in China. The group, which has assets including the Shangri-La chain of hotels and several urea formaldehyde plants in Malaysia and Singapore, has signed a memorandum of understanding with the local authorities of Beihai, Guangxi province to study a $3-billion refinery and petrochemicals complex. Beihai, in coastal southwestern China, is near the Vietnam border. The project, understood to be in the preliminary scoping phase, would include a 100,000-bbl/day refinery and a world-scale 450,000-m.t./year cracker that would feed a 450,000-m.t./year polyethylene unit. To make the operation competitive, the group is considering building an ethylene cracker and looking for a cheap source of natural gas. It is understood that an undisclosed Western company has joined forces in the joint venture, which is not one of the 14 petrochemicals complexes currently planned in China. Kuok, who has good contacts in China and has just agreed to develop a commercial complex in Shanghai's Zhabei district, has been approached by the Beihai authorities. Beihai, an economic development zone, would like its own refinery. The closest one is in Maoming. A decision is expected by the end of then year

Malaysian group looks to invest in China petchems venture

Energy Technology Data Exchange (ETDEWEB)

Alperowicz, N.

1992-11-25

The Kuok Group, owned by Malaysian tycoon Robert Kuok, has emerged as the latest potential investor in a petrochemicals joint venture in China. The group, which has assets including the Shangri-La chain of hotels and several urea formaldehyde plants in Malaysia and Singapore, has signed a memorandum of understanding with the local authorities of Beihai, Guangxi province to study a $3-billion refinery and petrochemicals complex. Beihai, in coastal southwestern China, is near the Vietnam border. The project, understood to be in the preliminary scoping phase, would include a 100,000-bbl/day refinery and a world-scale 450,000-m.t./year cracker that would feed a 450,000-m.t./year polyethylene unit. To make the operation competitive, the group is considering building an ethylene cracker and looking for a cheap source of natural gas. It is understood that an undisclosed Western company has joined forces in the joint venture, which is not one of the 14 petrochemicals complexes currently planned in China. Kuok, who has good contacts in China and has just agreed to develop a commercial complex in Shanghai's Zhabei district, has been approached by the Beihai authorities. Beihai, an economic development zone, would like its own refinery. The closest one is in Maoming. A decision is expected by the end of then year.

Cebollati group, Nico Perez terrane: Definition and age

International Nuclear Information System (INIS)

Gaucher, C; Chemale, F.; Bossi, J.; Castiglioni, E.; Castiglioni, E.

2010-01-01

The Cebollati Group (Nico Perez Terrane) is formally erected in this work to include a meta sedimentary succession informally known as L as Teta s Complex . It is shown that the stratigraphy of the unit can be reconstructed at a number of sections between Minas and Zapicìn, using sedimentary structures and stromatolites as geo petal indicators. The basement of the group is represented by metamorphic rocks and granitoids of the La China Complex, for which a new U-Pb zircon age of 3.029 ± 54 Ma is presented. The Cebollatií Group comprises, from base to top, three formations: the Arroyo Ma lo Formation (sandstones and petites), Cerro de Valuable Formation (dolostones, partly stromatolitic, and p elites) and the Cerro del Diamant e Formation (p elites, BIF, quartz-pebble conglomerates and sandstones). The mean thickness of the Cebollatií Group is ca. 2 km, being greatest in the south and diminishing to the north. Available ages for the unit suggested a Neoarchean depositional age of 2.75 Ga. However, in this work 12 Nd model ages are presented for sedimentary rocks of the Cebollatí Group, which are mostly younger than 2.75 Ga, the youngest being 1.64 Ga. These ages call into question the Neoarchean age accepted for the unit, suggesting a Meso proterozoic depositional age. The evidence supporting both views is discussed in view of the new data. The minimum age of the Cebollatí Group is 1.3 Ga on the basis of carbon isotope ratios of dolostones and deformational ages consistently around 1.25 Ga

Geology, petrology and geochronology of meridional and oriental regions of the Morungaba complex, SP

International Nuclear Information System (INIS)

Vlach, S.R.F.

1985-01-01

This work studies the Morungaba Intensive Complex, in Southwestern of Sao Paulo State. Formed principally by granitoid rocks with biotite. 31 granitoid facies with structural was recognized. Petrographic own characteristics. The rocks from Morungaba Complex was joint in three magmatics groups, denominated: Roby Gray and Porphyritic. Petrographic and mineralogical composition studies of this three groups were done. Geochranological studies by Rb/Sr and K/sr methods made possible to establish the ages and evolution of this rocks. This Complex formation and evolution are associated with the dioritic rocks presence. This work also concluded that the Morungaba Intrusive Complex represent the pos-orogenic wents from Brazilian Cycle. (C.D.G.) [pt

Spinor formalism and complex-vector formalism of general relativity

International Nuclear Information System (INIS)

Han-ying, G.; Yong-shi, W.; Gendao, L.

1974-01-01

In this paper, using E. Cartan's exterior calculus, we give the spinor form of the structure equations, which leads naturally to the Newman--Penrose equations. Furthermore, starting from the spinor spaces and the el (2C) algebra, we construct the general complex-vector formalism of general relativity. We find that both the Cahen--Debever--Defrise complex-vector formalism and that of Brans are its special cases. Thus, the spinor formalism and the complex-vector formalism of general relativity are unified on the basis of the uni-modular group SL(2C) and its Lie algebra

The Progressive Approach to EMDR Group Therapy for Complex Trauma and Dissociation: A Case-Control Study

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Ana I. Gonzalez-Vazquez

2018-02-01

Full Text Available Eye Movement Desensitization and Reprocessing is a psychotherapeutic approach with recognized efficiency in treating post-traumatic stress disorder (PTSD, which is being used and studied in other psychiatric diagnoses partially based on adverse and traumatic life experiences. Nevertheless, there is not enough empirical evidence at the moment to support its usefulness in a diagnosis other than PTSD. It is commonly accepted that the use of EMDR in severely traumatized patients requires an extended stabilization phase. Some authors have proposed integrating both the theory of structural dissociation of the personality and the adaptive information processing model guiding EMDR therapy. One of these proposals is the Progressive Approach. Some of these EMDR procedures will be evaluated in a group therapy format, integrating them along with emotional regulation, dissociation, and trauma-oriented psychoeducational interventions. Patients presenting a history of severe traumatization, mostly early severe and interpersonal trauma, combined with additional significant traumatizing events in adulthood were included. In order to discriminate the specific effect of EMDR procedures, two types of groups were compared: TAU (treatment as usual: psychoeducational intervention only vs. TAU+EMDR (the same psychoeducational intervention plus EMDR specific procedures. In pre-post comparison, more variables presented positive changes in the group including EMDR procedures. In the TAU+EMDR group, 4 of the 5 measured variables presented significant and positive changes: general health (GHQ, general satisfaction (Schwartz, subjective well-being, and therapy session usefulness assessment. On the contrary, only 2 of the 5 variables in the TAU group showed statistically significant changes: general health (GHQ, and general satisfaction (Schwartz. Regarding post-test inter-group comparison, improvement in subjective well-being was related to belonging to the group that

Mycobacterium abscessus Complex Infections in Humans.

Science.gov (United States)

Lee, Meng-Rui; Sheng, Wang-Huei; Hung, Chien-Ching; Yu, Chong-Jen; Lee, Li-Na; Hsueh, Po-Ren

2015-09-01

Mycobacterium abscessus complex comprises a group of rapidly growing, multidrug-resistant, nontuberculous mycobacteria that are responsible for a wide spectrum of skin and soft tissue diseases, central nervous system infections, bacteremia, and ocular and other infections. M. abscessus complex is differentiated into 3 subspecies: M. abscessus subsp. abscessus, M. abscessus subsp. massiliense, and M. abscessus subsp. bolletii. The 2 major subspecies, M. abscessus subsp. abscessus and M. abscessus subsp. massiliense, have different erm(41) gene patterns. This gene provides intrinsic resistance to macrolides, so the different patterns lead to different treatment outcomes. M. abscessus complex outbreaks associated with cosmetic procedures and nosocomial transmissions are not uncommon. Clarithromycin, amikacin, and cefoxitin are the current antimicrobial drugs of choice for treatment. However, new treatment regimens are urgently needed, as are rapid and inexpensive identification methods and measures to contain nosocomial transmission and outbreaks.

Group work in higher education: a mismanaged evil or a potential ...

African Journals Online (AJOL)

Theoretically speaking, group work has a wealth of potential to offer to the lecturer and the learner. The complexity of the phenomenon leaves the lecturer with no choice but to take great care in the use of group work. The fact that group work is not viewed as a mismanaged evil leaves the door open for further use of this ...

Surface complexation of neptunium (V) onto whole cells and cell componets of Shewanella alga

Energy Technology Data Exchange (ETDEWEB)

Reed, Donald Timothy [Los Alamos National Laboratory; Deo, Randhir P [ASU; Rittmann, Bruce E [ASU; Songkasiri, Warinthorn [UNAFFILIATED

2008-01-01

We systematically quantified surface complexation of neptunium(V) onto whole cells of Shewanella alga strain BrY and onto cell wall and extracellular polymeric substances (EPS) of S. alga. We first performed acid and base titrations and used the mathematical model FITEQL with constant-capacitance surface-complexation to determine the concentrations and deprotonation constants of specific surface functional groups. Deprotonation constants most likely corresponded to a carboxyl site associated with amino acids (pK{sub a} {approx} 2.4), a carboxyl group not associated with amino acids (pK{sub a} {approx} 5), a phosphoryl site (pK{sub a} {approx} 7.2), and an amine site (pK{sub a} > 10). We then carried out batch sorption experiments with Np(V) and each of the S. alga components at different pHs. Results show that solution pH influenced the speciation of Np(V) and each of the surface functional groups. We used the speciation sub-model of the biogeochemical model CCBATCH to compute the stability constants for Np(V) complexation to each surface functional group. The stability constants were similar for each functional group on S. alga bacterial whole cells, cell walls, and EPS, and they explain the complicated sorption patterns when they are combined with the aqueous-phase speciation of Np(V). For pH < 8, NpO{sub 2}{sup +} was the dominant form of Np(V), and its log K values for the low-pK{sub a} carboxyl, other carboxyl, and phosphoryl groups were 1.75, 1.75, and 2.5 to 3.1, respectively. For pH greater than 8, the key surface ligand was amine >XNH3+, which complexed with NpO{sub 2}(CO{sub 3}){sub 3}{sup 5-}. The log K for NpO{sub 2}(CO{sub 3}){sub 3}{sup 5-} complexed onto the amine groups was 3.1 to 3.6. All of the log K values are similar to those of Np(V) complexes with aqueous carboxyl and N-containing carboxyl ligands. These results point towards the important role of surface complexation in defining key actinide-microbiological interactions in the subsurface.

Grouping Notes Through Nodes

DEFF Research Database (Denmark)

Dove, Graham; Abildgaard, Sille Julie Jøhnk; Biskjær, Michael Mose

, both individually and when grouped, and their role in categorisation in semantic long-term memory. To do this, we adopt a multimodal analytical approach focusing on interaction between humans, and between humans and artefacts, alongside language. We discuss in detail examples of four different...... externalisation functions served by Post-ItTM notes, and show how these functions are present in complex overlapping combinations rather than being discrete. We then show how the temporal development of Post-ItTM note interactions supports categorisation qualities of semantic long-term memory....

Grouping Notes Through Nodes

DEFF Research Database (Denmark)

Dove, Graham; Abildgaard, Sille Julie; Biskjær, Michael Mose

2017-01-01

, both individually and when grouped, and their role in categorisation in semantic long-term memory. To do this, we adopt a multimodal analytical approach focusing on interaction between humans, and between humans and artefacts, alongside language. We discuss in detail examples of four different...... externalisation functions served by Post-ItTM notes, and show how these functions are present in complex overlapping combinations rather than being discrete. We then show how the temporal development of Post-ItTM note interactions supports categorisation qualities of semantic long-term memory....

Non metrizable topologies on Z with countable dual group.

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Daniel de la Barrera Mayoral

2017-04-01

Full Text Available In this paper we give two families of non-metrizable topologies on the group of the integers having a countable dual group which is isomorphic to a infinite torsion subgroup of the unit circle in the complex plane. Both families are related to D-sequences, which are sequences of natural numbers such that each term divides the following. The first family consists of locally quasi-convex group topologies. The second consists of complete topologies which are not locally quasi-convex. In order to study the dual groups for both families we need to make numerical considerations of independent interest.

Geometric invariant theory over the real and complex numbers

CERN Document Server

Wallach, Nolan R

2017-01-01

Geometric Invariant Theory (GIT) is developed in this text within the context of algebraic geometry over the real and complex numbers. This sophisticated topic is elegantly presented with enough background theory included to make the text accessible to advanced graduate students in mathematics and physics with diverse backgrounds in algebraic and differential geometry.  Throughout the book, examples are emphasized. Exercises add to the reader’s understanding of the material; most are enhanced with hints. The exposition is divided into two parts. The first part, ‘Background Theory’, is organized as a reference for the rest of the book. It contains two chapters developing material in complex and real algebraic geometry and algebraic groups that are difficult to find in the literature. Chapter 1 emphasizes the relationship between the Zariski topology and the canonical Hausdorff topology of an algebraic variety over the complex numbers. Chapter 2 develops the interaction between Lie groups and algebraic ...

Crystallization of Doc and the Phd–Doc toxin–antitoxin complex

International Nuclear Information System (INIS)

Garcia-Pino, Abel; Dao-Thi, Minh-Hoa; Gazit, Ehud; Magnuson, Roy David; Wyns, Lode; Loris, Remy

2008-01-01

Crystals of bacteriophage P1 Doc were grown in the free state, in complex with a 22-amino-acid C-terminal peptide of Phd and in complex with full-length Phd. The phd/doc addiction system is responsible for the stable inheritance of lysogenic bacteriophage P1 in its plasmidic form in Escherichia coli and is the archetype of a family of bacterial toxin–antitoxin modules. The His66Tyr mutant of Doc (Doc H66Y ) was crystallized in space group P2 1 , with unit-cell parameters a = 53.1, b = 198.0, c = 54.1 Å, β = 93.0°. These crystals diffracted to 2.5 Å resolution and probably contained four dimers of Doc in the asymmetric unit. Doc H66Y in complex with a 22-amino-acid C-terminal peptide of Phd (Phd 52-73Se ) was crystallized in space group C2, with unit-cell parameters a = 111.1, b = 38.6, c = 63.3 Å, β = 99.3°, and diffracted to 1.9 Å resolution. Crystals of the complete wild-type Phd–Doc complex belonged to space group P3 1 21 or P3 2 21, had an elongated unit cell with dimensions a = b = 48.9, c = 354.9 Å and diffracted to 2.4 Å resolution using synchrotron radiation

A structurally characterized organometallic plutonium(IV) complex

Energy Technology Data Exchange (ETDEWEB)

Apostolidis, Christos; Walter, Olaf [European Commission, Joint Research Centre, Directorate G - Nuclear Safety and Security, Karlsruhe (Germany); Vogt, Jochen; Liebing, Phil; Edelmann, Frank T. [Chemisches Institut, Otto-von-Guericke-Universitaet Magdeburg (Germany); Maron, Laurent [Laboratoire de Physique et Chimie des Nanoobjets (LPCNO), Universite de Toulouse/INSA/CNRS (UMR5215), Toulouse (France)

2017-04-24

The blood-red plutonocene complex Pu(1,3-COT'')(1,4-COT'') (4; COT''=η{sup 8}-bis(trimethylsilyl)cyclooctatetraenyl) has been synthesized by oxidation of the anionic sandwich complex Li[Pu(1,4-COT''){sub 2}] (3) with anhydrous cobalt(II) chloride. The first crystal structure determination of an organoplutonium(IV) complex revealed an asymmetric sandwich structure for 4 where one COT'' ring is 1,3-substituted while the other retains the original 1,4-substitution pattern. The electronic structure of 4 has been elucidated by a computational study, revealing a probable cause for the unexpected silyl group migration. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Contaminant Organic Complexes: Their Structure and Energetics in Surface Decontamination Processes

International Nuclear Information System (INIS)

Satish C. B. Myneni

2005-01-01

Siderophores are biological macromolecules (400-2000 Da) released by bacteria in iron limiting situations to sequester Fe from iron oxyhydroxides and silicates in the natural environment. These molecules contain hydroxamate and phenolate functional groups, and exhibit very high affinity for Fe 3+ . While several studies were conducted to understand the behavior of siderophores and their application to the metal sequestration and mineral dissolution, only a few of them have examined the molecular structure of siderophores and their interactions with metals and mineral surfaces in aqueous solutions. Improved understanding of the chemical state of different functional moieties in siderophores can assist in the application of these biological molecules in actinide separation, sequestration and decontamination processes. The focus of our research group is to evaluate the (a) functional group chemistry of selected siderophores and their metal complexes in aqueous solutions, and (b) the nature of siderophore interactions at the mineral-water interfaces. We selected desferrioxamine B (desB), a hydroxamate siderophore, and its small structural analogue, acetohydroxamic acid (aHa), for this investigation. We examined the functional group chemistry of these molecules as a function of pH, and their complexation with aqueous and solid phase Fe(III). For solid phase Fe, we synthesized all naturally occurring Fe(III)-oxyhydroxides (goethite, lepidocrocite, akaganeite, feroxyhite) and hematite. We also synthesized Fe-oxides (goethite and hematite) of different sizes to evaluate the influence of particle size on mineral dissolution kinetics. We used a series of molecular techniques to explore the functional group chemistry of these molecules and their complexes. Infrared spectroscopy is used to specifically identify the variations in oxime group as a function of pH and Fe(III) complexation. Resonance Raman spectroscopy was used to evaluate the nature of hydroxamate binding in the

A Jigsaw Lesson for Operations of Complex Numbers.

Science.gov (United States)

Lucas, Carol A.

2000-01-01

Explains the cooperative learning technique of jigsaw. Details the use of a jigsaw lesson for explaining complex numbers to intermediate algebra students. Includes copies of the handouts given to the expert groups. (Author/ASK)

Alkene-glycol interconversion with technetium and rhenium oxo complexes

International Nuclear Information System (INIS)

Pearlstein, R.M.; Davison, Alan

1988-01-01

The trioxotechnetium(VII) complexes TcO 3 Cl(AA) (AA = phen, bpy, 5-NO 2 -phen, 3,4,7,8-Me 4 -phen) cleanly oxidize olefins (C 2 R 4 ) in solution at 22 0 C, forming in high yields the corresponding oxotechnetium(V) diolate complexes, TcOCl(OCR 2 CR 2 O)(AA). The complexes have been characterized by 1 H NMR, IR, elemental analysis, and fast atom bombardment mass spectrometry. The free diols isolated by hydrolysis of these diolate complexes with HCl were shown by capillary gas chromatography to represent syn addition of the two hydroxyl groups across the double bond. The related rhenium complex, ReOCl(OCH 2 CH 2 O)(phen) undergoes the reverse reaction when thermalized, releasing ethylene and producing ReO 3 Cl(phen). (author)

Functional groups and reactivity of size-fractionated Aldrich humic acid

Energy Technology Data Exchange (ETDEWEB)

Tanaka, Tadao, E-mail: tanaka.tadao26@jaea.go.jp [Nuclear Safety Research Center, Japan Atomic Energy Agency, Shirakata 2-4, Tokai, Naka, Ibaraki, 319-1195 (Japan)

2012-03-20

The complexation affinity of the Aldrich Chemicals humic acid with {sup 60}Co was examined with respect to molecular size of humic acid. Correlations between the affinity and the structures of humic acid were studied. At low humic acid concentration range, {sup 60}Co was interacted with the humic acid of size fraction over 100k Da (HA(100<)). With increasing humic acid concentration, the {sup 60}Co was preferentially interacted with the 30k-100k Da of humic acid (HA(30-100)). Fractionated HA(100<) and HA(30-100) were characterized from their FTIR (Fourier Transform Infra-Red), {sup 13}C NMR spectral analyses and acid-base titration curves. The HA(10<) having aliphatic branched structure, smaller amount of COOH group and large proton exchangeable capacity, seem to show low covalent bonding nature and high ion exchangeability in the complexation. In addition, steric hindrance may affect on the complexation, by winding up like random coils from the branched structure. The HA(30-100) is dominated with the aromatic COOH group and OH group and it may preferentially coordinate to {sup 60}Co by covalent binding. These presumptions were supported by XPS analysis, in which the biding energy of cobalt-humates was discussed.

Cationic Amphiphilic Tris-Cyclometalated Iridium(III) Complexes Induce Cancer Cell Death via Interaction with Ca2+-Calmodulin Complex.

Science.gov (United States)

Hisamatsu, Yosuke; Suzuki, Nozomi; Masum, Abdullah-Al; Shibuya, Ai; Abe, Ryo; Sato, Akira; Tanuma, Sei-Ichi; Aoki, Shin

2017-02-15

In our previous paper, we reported on the preparation of some cationic amphiphilic Ir complexes (2c, 2d) containing KKGG peptides that induce and detect cell death of Jurkat cells. Mechanistic studies suggest that 2c interacts with anionic molecules and/or membrane receptors on the cell surface to trigger an intracellular Ca 2+ response, resulting in the induction of cell death, accompanied by membrane disruption. We have continued the studies of cell death of Jurkat cells induced by 2c and found that xestospongin C, a selective inhibitor of an inositol 1,4,5-trisphosphate receptor located on the endoplasmic reticulum (ER), reduces the cytotoxicity of 2c, suggesting that 2c triggers the release of Ca 2+ from the ER, leading to an increase in the concentration of cytosolic Ca 2+ , thus inducing cell death. Moreover, we synthesized a series of new amphiphilic cationic Ir complexes 5a-c containing photoreactive 3-trifluoromethyl-3-phenyldiazirine (TFPD) groups, in an attempt to identify the target molecules of 2c. Interestingly, it was discovered that a TFPD group functions as a triplet quencher of Ir complexes. It was also found that 5b is useful as a turn-on phosphorescent probe of acidic proteins such as bovine serum albumin (BSA) (pI = 4.7) and their complexation was confirmed by luminescence titrations and SDS-PAGE of photochemical products between them. These successful results allowed us to carry out photoaffinity labeling of the target biomolecules of 5b (2c and analogues thereof) in Jurkat cells. A proteomic analysis of the products obtained by the photoirradiation of 5b with Jurkat cells suggests that the Ca 2+ -binding protein "calmodulin (CaM)" is one of target proteins of the Ir complexes. Indeed, 5b was found to interact with the Ca 2+ -CaM complex, as evidenced by luminescence titrations and the results of photochemical reactions of 5b with CaM in the presence of Ca 2+ (SDS-PAGE). A plausible mechanism for cell death induced by a cationic amphiphilic Ir

An Examination of Text Complexity as Characterized by Readability and Cohesion

Science.gov (United States)

Reed, Deborah K.; Kershaw-Herrera, Sarah

2016-01-01

To better understand dimensions of text complexity and their effect on the comprehension of adolescents, 103 high school seniors were randomly assigned to 4 groups. Each group read versions of the same 2 informational passages and answered comprehension test items targeting factual recall and inferences of causal content. Group A passages had a…

Study of the alkaline cations complexation by photo-isomerizable calixarenes; Etude de la complexation de cations alcalins par des calixarenes photoisomerisables

Energy Technology Data Exchange (ETDEWEB)

Reynier, N.

1996-04-25

The first step to reduce the volume and the toxicity of radioactive waste coming from the spent fuel reprocessing is to separate long life radioisotopes from others ones with a shorter period. The aim of this study is to show that the control of the two phenomenons, complexation of the cation by the calixarenes and its de-complexation, can be envisaged by the introduction on the molecule of a chromophore group, azo benzene, able to modify the complexing site structure of the calixarenes with an isomerization trans-cis induced by ultraviolet radiation, and isomerization cis-trans thermally induced by a visible radiation. (N.C.). 112 refs., 78 figs., 23 tabs.

Efficacy and Safety of Dual Antiplatelet Therapy After Complex PCI.

Science.gov (United States)

Giustino, Gennaro; Chieffo, Alaide; Palmerini, Tullio; Valgimigli, Marco; Feres, Fausto; Abizaid, Alexandre; Costa, Ricardo A; Hong, Myeong-Ki; Kim, Byeong-Keuk; Jang, Yangsoo; Kim, Hyo-Soo; Park, Kyung Woo; Gilard, Martine; Morice, Marie-Claude; Sawaya, Fadi; Sardella, Gennaro; Genereux, Philippe; Redfors, Bjorn; Leon, Martin B; Bhatt, Deepak L; Stone, Gregg W; Colombo, Antonio

2016-10-25

Optimal upfront dual antiplatelet therapy (DAPT) duration after complex percutaneous coronary intervention (PCI) with drug-eluting stents (DES) remains unclear. This study investigated the efficacy and safety of long-term (≥12 months) versus short-term (3 or 6 months) DAPT with aspirin and clopidogrel according to PCI complexity. The authors pooled patient-level data from 6 randomized controlled trials investigating DAPT durations after PCI. Complex PCI was defined as having at least 1 of the following features: 3 vessels treated, ≥3 stents implanted, ≥3 lesions treated, bifurcation with 2 stents implanted, total stent length >60 mm, or chronic total occlusion. The primary efficacy endpoint was major adverse cardiac events (MACE), defined as the composite of cardiac death, myocardial infarction, or stent thrombosis. The primary safety endpoint was major bleeding. Intention-to-treat was the primary analytic approach. Of 9,577 patients included in the pooled dataset for whom procedural variables were available, 1,680 (17.5%) underwent complex PCI. Overall, 85% of patients received new-generation DES. At a median follow-up time of 392 days (interquartile range: 366 to 710 days), patients who underwent complex PCI had a higher risk of MACE (adjusted hazard ratio [HR]: 1.98; 95% confidence interval [CI]: 1.50 to 2.60; p PCI group (adjusted HR: 0.56; 95% CI: 0.35 to 0.89) versus the noncomplex PCI group (adjusted HR: 1.01; 95% CI: 0.75 to 1.35; p interaction  = 0.01). The magnitude of the benefit with long-term DAPT was progressively greater per increase in procedural complexity. Long-term DAPT was associated with increased risk for major bleeding, which was similar between groups (p interaction  = 0.96). Results were consistent by per-treatment landmark analysis. Alongside other established clinical risk factors, procedural complexity is an important parameter to take into account in tailoring upfront duration of DAPT. Copyright © 2016 American College

Cobalt dinitrosoalkane complexes in the C-H functionalization of olefins.

Science.gov (United States)

Schomaker, Jennifer M; Boyd, W Christopher; Stewart, Ian C; Toste, F Dean; Bergman, Robert G

2008-03-26

The use of cobalt dinitrosoalkane complexes in the C-H functionalization of alkenes has been demonstrated. Reaction of a series of alkenes with Me4CpCo(CO)2 in the presence of NO generates intermediate cobalt dinitrosoalkane complexes that can be deprotonated alpha to the nitrosyl group and added to various Michael acceptors. The resultant products can then undergo retrocycloaddition reactions in the presence of the original alkene to regenerate the starting cobalt dinitrosoalkane complex and release the functionalized alkene.

Carotenoid-protein complexes and their stability towards oxygen and radiation

International Nuclear Information System (INIS)

Ramakrishnan, T.V.; Francis, F.J.

1980-01-01

Carotenoid-protein complexes isolated from fresh mangoes were found to be more stable to oxygen and radiation when dissolved in water as compared with β-carotene in petroleum ether. Part of the pigment could be released from the complex by gamma irradiation. Observations on the stability of the carotenoid (98% β-carotene) in the complex indicated that the pigment is either associated with the lipid prosthetic group of the protein or loosely attached to the protein by weak hydrophobic bonds. (author)

Multi-Morbidity in Hospitalised Older Patients: Who Are the Complex Elderly?

Science.gov (United States)

Ruiz, Milagros; Bottle, Alex; Long, Susannah; Aylin, Paul

2015-01-01

No formal definition for the "complex elderly" exists; moreover, these older patients with high levels of multi-morbidity are not readily identified as such at point of hospitalisation, thus missing a valuable opportunity to manage the older patient appropriately within the hospital setting. To empirically identify the complex elderly patient based on degree of multi-morbidity. Retrospective observational study using administrative data. English hospitals during the financial year 2012-13. All admitted patients aged 65 years and over. By using exploratory analysis (correspondence analysis) we identify multi-morbidity groups based on 20 target conditions whose hospital prevalence was ≥ 1%. We examined a total of 2788900 hospital admissions. Multi-morbidity was highly prevalent, 62.8% had 2 or more of the targeted conditions while 4.7% had six or more. Multi-morbidity increased with age from 56% (65-69yr age-groups) up to 67% (80-84yr age-group). The average multi-morbidity was 3.2±1.2 (SD). Correspondence analysis revealed 3 distinct groups of older patients. Group 1 (multi-morbidity ≤2), associated with cancer and/or metastasis; Group 2 (multi-morbidity of 3, 4 or 5), associated with chronic pulmonary disease, lung disease, rheumatism and osteoporosis; finally Group 3 with the highest level of multi-morbidity (≥6) and associated with heart failure, cerebrovascular accident, diabetes, hypertension and myocardial infarction. By using widely available hospital administrative data, we propose patients in Groups 2 and 3 to be identified as the complex elderly. Identification of multi-morbidity patterns can help to predict the needs of the older patient and improve resource provision.

Multi-Morbidity in Hospitalised Older Patients: Who Are the Complex Elderly?

Directory of Open Access Journals (Sweden)

Milagros Ruiz

Full Text Available No formal definition for the "complex elderly" exists; moreover, these older patients with high levels of multi-morbidity are not readily identified as such at point of hospitalisation, thus missing a valuable opportunity to manage the older patient appropriately within the hospital setting.To empirically identify the complex elderly patient based on degree of multi-morbidity.Retrospective observational study using administrative data.English hospitals during the financial year 2012-13.All admitted patients aged 65 years and over.By using exploratory analysis (correspondence analysis we identify multi-morbidity groups based on 20 target conditions whose hospital prevalence was ≥ 1%.We examined a total of 2788900 hospital admissions. Multi-morbidity was highly prevalent, 62.8% had 2 or more of the targeted conditions while 4.7% had six or more. Multi-morbidity increased with age from 56% (65-69yr age-groups up to 67% (80-84yr age-group. The average multi-morbidity was 3.2±1.2 (SD. Correspondence analysis revealed 3 distinct groups of older patients. Group 1 (multi-morbidity ≤2, associated with cancer and/or metastasis; Group 2 (multi-morbidity of 3, 4 or 5, associated with chronic pulmonary disease, lung disease, rheumatism and osteoporosis; finally Group 3 with the highest level of multi-morbidity (≥6 and associated with heart failure, cerebrovascular accident, diabetes, hypertension and myocardial infarction.By using widely available hospital administrative data, we propose patients in Groups 2 and 3 to be identified as the complex elderly. Identification of multi-morbidity patterns can help to predict the needs of the older patient and improve resource provision.

Efficacy of vitamin B complex as an adjuvant therapy for the treatment of complicated vulvovaginal candidiasis: An in vivo and in vitro study.

Science.gov (United States)

Sun, Mei-Guo; Huang, Ying; Xu, Yuan-Hong; Cao, Yun-Xia

2017-04-01

This study aimed to explore the efficacy of vitamin B complex as an adjuvant therapy for the treatment of complicated vulvovaginal candidiasis (VVC) in vitro and in vivo. One-hundred fifty-eight complicated VVC patients were randomly divided into group A (treated with suppository+oral antifungal agents), group B (treated with suppository+vaginal cream), and group C (treated with suppository+vaginal cream+oral vitamin B complex). A mouse model of VVC was established. Eighty VVC mice were randomly divided into 4 groups according to the dose of vitamin B complex (20 mice in each group): V1 group (injected with 150μL normal salin), V2 group (injected with 50μL vitamin B complex solution+100μL normal saline), V3 group (injected with 100μL vitamin B complex solution+50μL normal saline), and V4 group (injected with 150μL vitamin B complex solution). After 4 weeks of treatment, the vaginal secretion was obtained for microscopic smear examination. HE stainning was performed to observe histopathological changes of vaginal tissues. The expressions of inflammatory factors were detected by ELISA. Meanwhile, VVC model of vaginal epithelial cells was established. The effects of different concentrations of vitamin B complex on anti-fungal effect of fluconazole were detected in vitro. After the treatment, complicated patients in the group C had significantly higher effective rates than those in the group A and group B. After the intra-gastric administration, the microscopic smear examination found that obvious pseudohypha in cluster with a lot of blastospores can be seen in the vaginal secretions of mice in the V1 group under the microscope. There was significant difference between mice treated with different dosages of vitamin B complex. The inflammatory response of mice in the V1 group was significantly higher than those in other groups and the inflammation response reduced with the increase of vitamin B complex dosage. The vitamin B complex elevated the curative effects of

Alkali metals and group IIA metals

International Nuclear Information System (INIS)

Fenton, D.E.

1987-01-01

This chapter on the coordination complexes of the alkali metals of group IIA starts with a historical perspective of their chemistry, from simple monodentate ligands, metal-β-diketonates to the macrocyclic polyethers which act as ligands to the alkali and akaline earth metals. Other macrocyclic ligands include quarterenes, calixarenes, porphyrins, phthalocyanines and chlorophylls. A section on the naturally occurring ionophores and carboxylic ionophores is included. (UK)

Interpretation of electronic spectra of ruthenium nitroso complexes with N-heterocyclic ligands

International Nuclear Information System (INIS)

Sizova, O.V.; Ivanova, N.V.; Lyubimova, O.O.; Nikol'skij, A.B.

2004-01-01

Relaying on ab initio and semiempirical CINDO/CI calculations of free ligands L and complexes trans-[Ru(NO)(NH 3 ) 4 (L)] 3+ (L=pyridine, pyrazine, nicotinamide, l-histidine, imidazole), electronic absorption spectra of nitroso complexes with nitrogen-containing heterocyclic ligands L have been analyzed. Spectral manifestations of strong covalent bond Ru-NO was pointed out and the conclusion was made about advisability of presentation of Ru and NO oxidation states in grouping RuNO 3+ as Ru(III) and NO 0 . Introduction of nitroso group into inner coordination sphere of Ru(II) complexes with nitrogen-containing heterocyclic ligands results in essential rearrangement of the entire structure and deprives ligands L of their ability to manifest chromophore properties [ru

Making mobility-related disability better: a complex response to a complex problem

Directory of Open Access Journals (Sweden)

Rockwood Kenneth

2012-10-01

Full Text Available Abstract Mobility disability in older adults can arise from single system problems, such as discrete musculoskeletal injury. In frail older adults, however, mobility disability is part of a complex web of problems. The approach to their rehabilitation must take that complexity into account, as is reported by Fairhall et al. First, their overall health state must be assessed, which is achieved by a comprehensive geriatric assessment. The assessment can show how a particular patient came to be disabled, so that an individualized care plan can be worked out. Whether this approach works in general can be evaluated by looking at group differences in mean mobility test scores. Knowing whether it has worked in the individual patient requires an individualized measure. This is because not every patient starts from the same point, and not every patient achieves success by aiming for the same goal. For one patient, walking unassisted for three metres would be a triumph; for another it would be a tragedy. Unless we understand the complexity of the needs of frail older adults, we will neither be able to treat them effectively nor evaluate our efforts sensibly. Please see related article http://www.biomedcentral.com/1741-7015/10/120

Computing Hypercrossed Complex Pairings in Digital Images

Directory of Open Access Journals (Sweden)

Simge Öztunç

2013-01-01

Full Text Available We consider an additive group structure in digital images and introduce the commutator in digital images. Then we calculate the hypercrossed complex pairings which generates a normal subgroup in dimension 2 and in dimension 3 by using 8-adjacency and 26-adjacency.

Tuberous sclerosis complex surveillance and management: recommendations of the 2012 International Tuberous Sclerosis Complex Consensus Conference.

Science.gov (United States)

Krueger, Darcy A; Northrup, Hope

2013-10-01

Tuberous sclerosis complex is a genetic disorder affecting every organ system, but disease manifestations vary significantly among affected individuals. The diverse and varied presentations and progression can be life-threatening with significant impact on cost and quality of life. Current surveillance and management practices are highly variable among region and country, reflective of the fact that last consensus recommendations occurred in 1998 and an updated, comprehensive standard is lacking that incorporates the latest scientific evidence and current best clinical practices. The 2012 International Tuberous Sclerosis Complex Consensus Group, comprising 79 specialists from 14 countries, was organized into 12 separate subcommittees, each led by a clinician with advanced expertise in tuberous sclerosis complex and the relevant medical subspecialty. Each subcommittee focused on a specific disease area with important clinical management implications and was charged with formulating key clinical questions to address within its focus area, reviewing relevant literature, evaluating the strength of data, and providing a recommendation accordingly. The updated consensus recommendations for clinical surveillance and management in tuberous sclerosis complex are summarized here. The recommendations are relevant to the entire lifespan of the patient, from infancy to adulthood, including both individuals where the diagnosis is newly made as well as individuals where the diagnosis already is established. The 2012 International Tuberous Sclerosis Complex Consensus Recommendations provide an evidence-based, standardized approach for optimal clinical care provided for individuals with tuberous sclerosis complex. Copyright © 2013 The Authors. Published by Elsevier Inc. All rights reserved.

Group delay functions and its applications in speech technology

Indian Academy of Sciences (India)

(iii) High resolution property: The (anti) resonance peaks (due to complex ... Resolving power of the group delay spectrum: z-plane (a, d, g), magnitude ...... speech signal into syllable-like units, without the knowledge of phonetic transcription.

The Referential Function of Internal Communication Groups in Complex Organizations: An Empirical Analysis.

Science.gov (United States)

Taylor, James A.; Farace, Richard V.

This paper argues that people who interact regularly and repetitively among themselves create a conjoint information space wherein common values, attitudes, and beliefs arise through the process of information transmission among the members in the space. Three major hypotheses concerning informal communication groups in organizations were tested…

Novel application of sugar-borate complexation for separation of ribo-2'-deoxyribo-, and arabinonucleosides on cation-exchange resin

Energy Technology Data Exchange (ETDEWEB)

Pal, B C

1978-01-01

Separation of the three groups of nucleosides: (1) Urd, ara-Urd, and dUrd; (2) Cyd, ana-Cyd, and dCyd; (3) Ado, ara-Ado, and dAdo are shown in graphs. There is a slight overlap between the ara-Urd and dUrd peaks. Separation of the group of nucleosides, Guo, ara-Guo, and dGuo was not studied because ara-Guo was not available. In all three cases, ribonucleosides were eluted first, followed by arabinonucleosides and deoxyribonucleosides. This is in accord with our concept of stability and formation of borate complexes. In ribonucleosides (I) the 2'- and 3'-hydroxyl groups are in the cis position, which facilitates the formation of a borate complex, whereas in arabinonucleosides (II) the 2'- and 3'-hydroxyl groups are in the trans position and complex less well with borate. The 2'-deoxyribonucleosides (III) lack vicinal hydroxyl groups and hence do not form borate complexes at all. The anions are excluded according to the amount of negative charge carried by them as a result of borate complexation. The order of elution is ribonucleosides, arabinonucleosides, and deoxyribonucleosides.

Molecular phylogeny and diversification of a widespread Neotropical rainforest bird group: The Buff-throated Woodcreeper complex, Xiphorhynchus guttatus/susurrans (Aves: Dendrocolaptidae).

Science.gov (United States)

Rocha, Tainá C; Sequeira, Fernando; Aleixo, Alexandre; Rêgo, Péricles S; Sampaio, Iracilda; Schneider, Horacio; Vallinoto, Marcelo

2015-04-01

The genus Xiphorhynchus is a species rich avian group widely distributed in Neotropical forests of Central and South America. Although recent molecular studies have improved our understanding of the spatial patterns of genetic diversity in some species of this genus, most are still poorly known, including their taxonomy. Here, we address the historical diversification and phylogenetic relationships of the X. guttatus/susurrans complex, using data from two mitochondrial (cyt b and ND2) and one nuclear (β-fibint7) genes. Phylogenetic relationships were inferred with both gene trees and a Bayesian-based species tree under a coalescent framework (∗BEAST). With exception of the nuclear β-fibint7 gene that produced an unresolved tree, both mtDNA and the species tree showed a similar topology and were congruent in recovering five main clades with high statistical support. These clades, however, are not fully concordant with traditional delimitation of some X. guttatus subspecies, since X. g. polystictus, X. g. guttatus, and X. g. connectens are not supported as distinct clades. Interestingly, these three taxa are more closely related to the mostly trans-Andean X. susurrans than the other southern and western Amazonian subspecies of X. guttatus, which constitutes a paraphyletic species. Timing estimates based on the species tree indicated that diversification in X. guttatus occurred between the end of the Pliocene and early Pleistocene, likely associated with the formation of the modern Amazon River and its main southern tributaries (Xingu, Tocantins, and Madeira), in addition to climate-induced changes in the distribution of rainforest biomes. Our study supports with an enlarged dataset a previous proposal for recognizing at least three species level taxa in the X. guttatus/susurrans complex: X. susurrans, X. guttatus, and X. guttatoides. Copyright © 2015 Elsevier Inc. All rights reserved.

Tackling Complex Emergency Response Solutions Evaluation Problems in Sustainable Development by Fuzzy Group Decision Making Approaches with Considering Decision Hesitancy and Prioritization among Assessing Criteria

Directory of Open Access Journals (Sweden)

Xiao-Wen Qi

2017-10-01

Full Text Available In order to be prepared against potential balance-breaking risks affecting economic development, more and more countries have recognized emergency response solutions evaluation (ERSE as an indispensable activity in their governance of sustainable development. Traditional multiple criteria group decision making (MCGDM approaches to ERSE have been facing simultaneous challenging characteristics of decision hesitancy and prioritization relations among assessing criteria, due to the complexity in practical ERSE problems. Therefore, aiming at the special type of ERSE problems that hold the two characteristics, we investigate effective MCGDM approaches by hiring interval-valued dual hesitant fuzzy set (IVDHFS to comprehensively depict decision hesitancy. To exploit decision information embedded in prioritization relations among criteria, we firstly define an fuzzy entropy measure for IVDHFS so that its derivative decision models can avoid potential information distortion in models based on classic IVDHFS distance measures with subjective supplementing mechanism; further, based on defined entropy measure, we develop two fundamental prioritized operators for IVDHFS by extending Yager’s prioritized operators. Furthermore, on the strength of above methods, we construct two hesitant fuzzy MCGDM approaches to tackle complex scenarios with or without known weights for decision makers, respectively. Finally, case studies have been conducted to show effectiveness and practicality of our proposed approaches.

Tackling Complex Emergency Response Solutions Evaluation Problems in Sustainable Development by Fuzzy Group Decision Making Approaches with Considering Decision Hesitancy and Prioritization among Assessing Criteria.

Science.gov (United States)

Qi, Xiao-Wen; Zhang, Jun-Ling; Zhao, Shu-Ping; Liang, Chang-Yong

2017-10-02

In order to be prepared against potential balance-breaking risks affecting economic development, more and more countries have recognized emergency response solutions evaluation (ERSE) as an indispensable activity in their governance of sustainable development. Traditional multiple criteria group decision making (MCGDM) approaches to ERSE have been facing simultaneous challenging characteristics of decision hesitancy and prioritization relations among assessing criteria, due to the complexity in practical ERSE problems. Therefore, aiming at the special type of ERSE problems that hold the two characteristics, we investigate effective MCGDM approaches by hiring interval-valued dual hesitant fuzzy set (IVDHFS) to comprehensively depict decision hesitancy. To exploit decision information embedded in prioritization relations among criteria, we firstly define an fuzzy entropy measure for IVDHFS so that its derivative decision models can avoid potential information distortion in models based on classic IVDHFS distance measures with subjective supplementing mechanism; further, based on defined entropy measure, we develop two fundamental prioritized operators for IVDHFS by extending Yager's prioritized operators. Furthermore, on the strength of above methods, we construct two hesitant fuzzy MCGDM approaches to tackle complex scenarios with or without known weights for decision makers, respectively. Finally, case studies have been conducted to show effectiveness and practicality of our proposed approaches.

Simple derivation of magnetic space groups

International Nuclear Information System (INIS)

Bertaut, E.F.; CEA Centre d'Etudes Nucleaires de Grenoble, 38

1975-01-01

The magnetic translation lattices can be described by invariant wave vectors k. Advantages of the wave vector notation over the notations used by Belov et al. and Opechowski et al. are pointed out. In a one-dimensional real representation a space group element (α/tau(1)) has either the character +1 (symmetry element) or -1 (antisymmetry element). Thus the square of any space group operation must have the character +1 in a one-dimensional real representation. This simple ''square criterion'' is used to limit the admissible k-vectors and to derive the family of magnetic space groups, i.e. the set of all possible magnetic space groups, belonging to the same crystallographic space group. In the discussion some useful side results are obtained. Not only the real one-dimensional representations of point groups are connected to real one-dimensional representations of space groups, but a direct connection is shown to exist between one-dimensional complex representations of the point groups 3, 4 and 6 and one-dimensional real representations, belonging to P[001/2]=Psub(2c)(Psub(c))-lattices with screw axes 3 1 , 3 2 , 4 2 , 6 2 and 6 4 . Rules are derived for finding the Belov symbol when the Opechowski-Guccione symbol of the magnetic space group is known and this opportunity is used for correcting errors in the Opechowski-Guccione tables [fr

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