Magnetization profile for impurities in graphene nanoribbons

The magnetic properties of graphene-related materials and in particular the spin-polarised edge states predicted for pristine graphene nanoribbons (GNRs) with certain edge geometries have received much attention recently due to a range of possible technological applications. However, the magnetic properties of pristine GNRs are not predicted to be particularly robust in the presence of edge disorder. In this work, we examine the magnetic properties of GNRs doped with transition-metal atoms using a combination of mean-field Hubbard and Density Functional Theory techniques. The effect of impurity location on the magnetic moment of such dopants in GNRs is investigated for the two principal GNR edge geometries - armchair and zigzag. Moment profiles are calculated across the width of the ribbon for both substitutional and adsorbed impurities and regular features are observed for zigzag-edged GNRs in particular. Unlike the case of edge-state induced magnetisation, the moments of magnetic impurities embedded in GNRs are found to be particularly stable in the presence of edge disorder. Our results suggest that the magnetic properties of transition-metal doped GNRs are far more robust than those with moments arising intrinsically due to edge geometry.Comment: submitte

Impurity segregation in graphene nanoribbons

The electronic properties of low-dimensional materials can be engineered by doping, but in the case of graphene nanoribbons (GNR) the proximity of two symmetry-breaking edges introduces an additional dependence on the location of an impurity across the width of the ribbon. This introduces energetically favorable locations for impurities, leading to a degree of spatial segregation in the impurity concentration. We develop a simple model to calculate the change in energy of a GNR system with an arbitrary impurity as that impurity is moved across the ribbon and validate its findings by comparison with ab initio calculations. Although our results agree with previous works predicting the dominance of edge disorder in GNR, we argue that the distribution of adsorbed impurities across a ribbon may be controllable by external factors, namely an applied electric field. We propose that this control over impurity segregation may allow manipulation and fine-tuning of the magnetic and transport properties of GNRs.Comment: 5 pages, 4 figures, submitte

Weed seed dormancy as a survival mechanism: brief review

Um dos principais mecanismos de sobrevivência das plantas daninhas em ambientes constantemente perturbados é a alta produção de sementes. Essas possuem geralmente algum mecanismo de dormência, o qual contribui para a perpetuação de espécies interferentes nos cultivos agrícolas. A dormência pode ser caracterizada pela ausência temporária da germinação, mesmo quando em condições adequadas de sua ocorrência. Isso permite que inúmeras espécies vegetais sobrevivam às adversidades, sobretudo aquelas que dificultam ou impeçam o seu crescimento vegetativo e reprodutivo. As causas da dormência são provenientes de dois mecanismos básicos, sendo o primeiro relacionado a eventos internos das sementes (embrião) e o segundo, às características externas (tegumento, endosperma ou as barreiras impostas pelo fruto). Conceitualmente, a dormência pode ser distinguida em dois tipos: dormência primária (quando os mecanismos de dormência ocorrem ainda na planta-mãe) e secundária (quando os mecanismos de estabelecimento da dormência ocorrem após a dispersão das sementes). A ocorrência desses dois tipos de dormência é comum em plantas daninhas. A sua alternância ou ciclagem garante o fluxo de germinação destas espécies, o qual depende das características iniciais durante a formação das sementes (dormência primária) e, posteriormente, das condições ambientais (dormência secundária). Todavia, muitos são os mecanismos que coordenam a dormência, sendo a distinção destes ainda controversos. Nesse sentido, este estudo tem por objetivo abordar alguns dos principais conceitos e mecanismos de dormência em plantas daninhas, com intuito de contribuir e estimular as pesquisas, ainda escassas, nessa área.The high production of seeds in constantly disturbed environments is one of the main mechanisms of weeds survival. These seeds have usually some dormancy mechanism which constitutes weed species perpetuation in the crops. Seed dormancy can be characterized by temporally absence of the germination capacity, even though the seeds have satisfactorily conditions to germinate, thus allowing species survival under adversities, mainly those that make it difficult or hinder vegetative and reproductive growth. The causes of dormancy stem from two basic mechanisms: the first is related to inner seed events (embryo) and the second to outer characteristics in the seeds (tegument, endosperm or fruit barriers). Conceptually, dormancy can be classified as primary dormancy (when the mechanisms occur in plants-mother) and secondary dormancy (when the mechanisms causing dormancy occur after seed dispersion). These types of dormancy occur normally in weeds. Their alternation or cycling ensures germination flow these species, which depends on the characteristics occurring at the initial stages of seed formation (primary dormancy), and later, on the environmental conditions (secondary dormancy). However, many mechanisms coordinate dormancy, with the differences among them being still controversial. Thus, this study aimed to approach some of the main concepts and mechanisms in weed dormancy, in order to contribute and stimulate research which is still scarce in this area

What’s Sex (Composition) Got to Do with It? The Importance of Sex Composition of Gangs for Female and Male Members’ Offending and Victimization

Sex composition of groups has been theorized in organizational sociology and found in prior work to structure female and male members’ behaviors and experiences. Peer group and gang literature similarly finds that the sex gap in offending varies across groups of differing sex ratios. Drawing on this and other research linking gang membership, offending, and victimization, we examine whether sex composition of gangs is linked to sex differences in offending in this sample, further assess whether sex composition similarly structures females’ and males’ victimization experiences, and if so, why. Self-report data from gang members in a multi-site, longitudinal study of 3,820 youths are employed. Results support previous findings about variations in member delinquency by both sex and sex composition of the gang and also indicate parallel variations in members’ victimization. These results are further considered within the context of facilitating effects such as gender dynamics, gang characteristics, and normative orientation

Fourier transform for quantum DD-modules via the punctured torus mapping class group

We construct a certain cross product of two copies of the braided dual $\tilde H$ of a quasitriangular Hopf algebra $H$, which we call the elliptic double $E_H$, and which we use to construct representations of the punctured elliptic braid group extending the well-known representations of the planar braid group attached to $H$. We show that the elliptic double is the universal source of such representations. We recover the representations of the punctured torus braid group obtained in arXiv:0805.2766, and hence construct a homomorphism to the Heisenberg double $D_H$, which is an isomorphism if $H$ is factorizable. The universal property of $E_H$ endows it with an action by algebra automorphisms of the mapping class group $\widetilde{SL_2(\mathbb{Z})}$ of the punctured torus. One such automorphism we call the quantum Fourier transform; we show that when $H=U_q(\mathfrak{g})$, the quantum Fourier transform degenerates to the classical Fourier transform on $D(\mathfrak{g})$ as $q\to 1$.Comment: 12 pages, 1 figure. Final version, to appear in Quantum Topolog

P-glycoprotein deficiency at the blood-brain barrier increases amyloid-β deposition in an Alzheimer disease mouse model

Accumulation of amyloid-β (Aβ) within extracellular spaces of the brain is a hallmark of Alzheimer disease (AD). In sporadic, late-onset AD, there is little evidence for increased Aβ production, suggesting that decreased elimination from the brain may contribute to elevated levels of Aβ and plaque formation. Efflux transport of Aβ across the blood-brain barrier (BBB) contributes to Aβ removal from the brain. P-glycoprotein (Pgp) is highly expressed on the luminal surface of brain capillary endothelial cells and contributes to the BBB. In Pgp-null mice, we show that [(125)I]Aβ(40) and [(125)I]Aβ(42) microinjected into the CNS clear at half the rate that they do in WT mice. When amyloid precursor protein–transgenic (APP-transgenic) mice were administered a Pgp inhibitor, Aβ levels within the brain interstitial fluid significantly increased within hours of treatment. Furthermore, APP-transgenic, Pgp-null mice had increased levels of brain Aβ and enhanced Aβ deposition compared with APP-transgenic, Pgp WT mice. These data establish a direct link between Pgp and Aβ metabolism in vivo and suggest that Pgp activity at the BBB could affect risk for developing AD as well as provide a novel diagnostic and therapeutic target

Organometallic iridium(III) anticancer complexes with new mechanisms of action: NCI-60 screening, mitochondrial targeting, and apoptosis

Platinum complexes related to cisplatin, cis-[PtCl2(NH3)2], are successful anticancer drugs; however, other transition metal complexes offer potential for combating cisplatin resistance, decreasing side effects, and widening the spectrum of activity. Organometallic half-sandwich iridium (IrIII) complexes [Ir(Cpx)(XY)Cl]+/0 (Cpx = biphenyltetramethylcyclopentadienyl and XY = phenanthroline (1), bipyridine (2), or phenylpyridine (3)) all hydrolyze rapidly, forming monofunctional G adducts on DNA with additional intercalation of the phenyl substituents on the Cpx ring. In comparison, highly potent complex 4 (Cpx = phenyltetramethylcyclopentadienyl and XY = N,N-dimethylphenylazopyridine) does not hydrolyze. All show higher potency toward A2780 human ovarian cancer cells compared to cisplatin, with 1, 3, and 4 also demonstrating higher potency in the National Cancer Institute (NCI) NCI-60 cell-line screen. Use of the NCI COMPARE algorithm (which predicts mechanisms of action (MoAs) for emerging anticancer compounds by correlating NCI-60 patterns of sensitivity) shows that the MoA of these IrIII complexes has no correlation to cisplatin (or oxaliplatin), with 3 and 4 emerging as particularly novel compounds. Those findings by COMPARE were experimentally probed by transmission electron microscopy (TEM) of A2780 cells exposed to 1, showing mitochondrial swelling and activation of apoptosis after 24 h. Significant changes in mitochondrial membrane polarization were detected by flow cytometry, and the potency of the complexes was enhanced ca. 5× by co-administration with a low concentration (5 μM) of the γ-glutamyl cysteine synthetase inhibitor L-buthionine sulfoximine (L-BSO). These studies reveal potential polypharmacology of organometallic IrIII complexes, with MoA and cell selectivity governed by structural changes in the chelating ligands

A concept analysis of undergraduate nursing students speaking up for patient safety in the patient care environment

© 2016 John Wiley & Sons Ltd. AIM: An analysis of the concept of nursing students speaking up for patient safety in the workplace.BACKGROUND: 'Speaking up' is assertive communication in clinical situations that requires action through questions or statements of opinion or information with appropriate persistence and is linked to patient safety. Previously, the concept of speaking up has focused on the registered or experienced practitioners, there is minimal discussion relating to student nurses. Analysis of the elements of students speaking up will identify the key elements that will give understanding to their position and experiences.DESIGN: A concept analysis.DATA: Literature included publications between 1970-2015 from, MEDLINE, CINHAL, PUBMED and SCOPUS. Search terms included patient safety AND speaking up; AND pre-registration/undergraduate nursing students, patient advocate, error reporting, organizational silence, whistleblowing and clinical placement/practicum.METHODS: The Walker and Avant concept analysis model was modified and used to examine the literature.RESULTS: Nursing students speaking up behaviour is influenced by individual and contextual factors that differ from those influencing more experienced colleagues. Motivators and barriers to voicing concerns include moral and ethical beliefs, willingness and confidence to speak up in the workplace. Students' subordinate and often vulnerable position creates additional tensions and challenges that impact their decisions and actions.CONCLUSION: This concept analysis provides a clear definition of 'speaking up' in relation to nursing students. The analysis will facilitate understanding and operationalization of the concept applied to learning and teaching, practice and research