Bromophenyl functionalization of carbon nanotubes : an ab initio study

We study the thermodynamics of bromophenyl functionalization of carbon nanotubes with respect to diameter and metallic/insulating character using density-functional theory (DFT). On one hand, we show that the activation energy for the grafting of a bromophenyl molecule onto a semiconducting zigzag nanotube ranges from 0.73 eV to 0.76 eV without any clear trend with respect to diameter within numerical accuracy. On the other hand, the binding energy of a single bromophenyl molecule shows a clear diameter dependence and ranges from 1.51 eV for a (8,0) zigzag nanotube to 0.83 eV for a (20,0) zigzag nanotube. This is in part explained by the transition from sp2 to sp3 bonding occurring to a carbon atom of a nanotube when a phenyl is grafted to it and the fact that smaller nanotubes are closer to a sp3 hybridization than larger ones due to increased curvature. Since a second bromophenyl unit can attach without energy barrier next to an isolated grafted unit, they are assumed to exist in pairs. The para configuration is found to be favored for the pairs and their binding energy decreases with increasing diameter, ranging from 4.34 eV for a (7,0) nanotube to 2.27 eV for a (29,0) nanotube. An analytic form for this radius dependence is derived using a tight binding hamiltonian and first order perturbation theory. The 1/R^2 dependance obtained (where R is the nanotube radius) is verified by our DFT results within numerical accuracy. Finally, metallic nanotubes are found to be more reactive than semiconducting nanotubes, a feature that can be explained by a non-zero density of states at the Fermi level for metallic nanotubes.Comment: 7 pages, 5 figures and 3 table

Wait-Learning: Leveraging Wait Time for Second Language Education

Competing priorities in daily life make it difficult for those with a casual interest in learning to set aside time for regular practice. In this paper, we explore wait-learning: leveraging brief moments of waiting during a person's existing conversations for second language vocabulary practice, even if the conversation happens in the native language. We present an augmented version of instant messaging, WaitChatter, that supports the notion of wait-learning by displaying contextually relevant foreign language vocabulary and micro-quizzes just-in-time while the user awaits a response from her conversant. Through a two week field study of WaitChatter with 20 people, we found that users were able to learn 57 new words on average during casual instant messaging. Furthermore, we found that users were most receptive to learning opportunities immediately after sending a chat message, and that this timing may be critical given user tendency to multi-task during waiting periods.Quanta Computer (Firm)Lincoln Laborator

Resonant tunneling diodes as sources for millimeter and submillimeter wavelengths

High-quality Resonant Tunneling Diodes have been fabricated and tested as sources for millimeter and submillimeter wavelengths. The devices have shown excellent I-V characteristics with peak-to-valley current ratios as high as 6:1 and current densities in the range of 50-150 kA/cm(exp 2) at 300 K. Used as local oscillators, the diodes are capable of state of the art output power delivered by AlGaAs-based tunneling devices. As harmonic multipliers, a frequency of 320 GHz has been achieved by quintupling the fundamental oscillation of a klystron source

Some Exact Results on the Potts Model Partition Function in a Magnetic Field

We consider the Potts model in a magnetic field on an arbitrary graph $G$. Using a formula of F. Y. Wu for the partition function $Z$ of this model as a sum over spanning subgraphs of $G$, we prove some properties of $Z$ concerning factorization, monotonicity, and zeros. A generalization of the Tutte polynomial is presented that corresponds to this partition function. In this context we formulate and discuss two weighted graph-coloring problems. We also give a general structural result for $Z$ for cyclic strip graphs.Comment: 5 pages, late

Exact Results on Potts Model Partition Functions in a Generalized External Field and Weighted-Set Graph Colorings

We present exact results on the partition function of the $q$-state Potts model on various families of graphs $G$ in a generalized external magnetic field that favors or disfavors spin values in a subset $I_s = \{1,...,s\}$ of the total set of possible spin values, $Z(G,q,s,v,w)$, where $v$ and $w$ are temperature- and field-dependent Boltzmann variables. We remark on differences in thermodynamic behavior between our model with a generalized external magnetic field and the Potts model with a conventional magnetic field that favors or disfavors a single spin value. Exact results are also given for the interesting special case of the zero-temperature Potts antiferromagnet, corresponding to a set-weighted chromatic polynomial $Ph(G,q,s,w)$ that counts the number of colorings of the vertices of $G$ subject to the condition that colors of adjacent vertices are different, with a weighting $w$ that favors or disfavors colors in the interval $I_s$. We derive powerful new upper and lower bounds on $Z(G,q,s,v,w)$ for the ferromagnetic case in terms of zero-field Potts partition functions with certain transformed arguments. We also prove general inequalities for $Z(G,q,s,v,w)$ on different families of tree graphs. As part of our analysis, we elucidate how the field-dependent Potts partition function and weighted-set chromatic polynomial distinguish, respectively, between Tutte-equivalent and chromatically equivalent pairs of graphs.Comment: 39 pages, 1 figur

On the Potts model partition function in an external field

We study the partition function of Potts model in an external (magnetic) field, and its connections with the zero-field Potts model partition function. Using a deletion-contraction formulation for the partition function Z for this model, we show that it can be expanded in terms of the zero-field partition function. We also show that Z can be written as a sum over the spanning trees, and the spanning forests, of a graph G. Our results extend to Z the well-known spanning tree expansion for the zero-field partition function that arises though its connections with the Tutte polynomial

The Classification of Autosomal Recessive Cerebellar Ataxias : a Consensus Statement from the Society for Research on the Cerebellum and Ataxias Task Force

There is currently no accepted classification of autosomal recessive cerebellar ataxias, a group of disorders characterized by important genetic heterogeneity and complex phenotypes. The objective of this task force was to build a consensus on the classification of autosomal recessive ataxias in order to develop a general approach to a patient presenting with ataxia, organize disorders according to clinical presentation, and define this field of research by identifying common pathogenic molecular mechanisms in these disorders. The work of this task force was based on a previously published systematic scoping review of the literature that identified autosomal recessive disorders characterized primarily by cerebellar motor dysfunction and cerebellar degeneration. The task force regrouped 12 international ataxia experts who decided on general orientation and specific issues. We identified 59 disorders that are classified as primary autosomal recessive cerebellar ataxias. For each of these disorders, we present geographical and ethnical specificities along with distinctive clinical and imagery features. These primary recessive ataxias were organized in a clinical and a pathophysiological classification, and we present a general clinical approach to the patient presenting with ataxia. We also identified a list of 48 complex multisystem disorders that are associated with ataxia and should be included in the differential diagnosis of autosomal recessive ataxias. This classification is the result of a consensus among a panel of international experts, and it promotes a unified understanding of autosomal recessive cerebellar disorders for clinicians and researchers

Appendectomy versus non-operative treatment for acute uncomplicated appendicitis in children: Study protocol for a multicentre, open-label, non-inferiority, randomised controlled trial

Background Appendectomy is considered the gold standard treatment for acute appendicitis. Recently the need for surgery has been challenged in both adults and children. In children there is growing clinician, patient and parental interest in non-operative treatment of acute appendicitis with antibiotics as opposed to surgery. To date no multicentre randomised controlled trials that are appropriately powered to determine efficacy of nonoperative treatment (antibiotics) for acute appendicitis in children compared with surgery (appendectomy) have been performed. Methods Multicentre, international, randomised controlled trial with a non-inferiority design. Children (age 5–16 years) with a clinical and/or radiological diagnosis of acute uncomplicated appendicitis will be randomised (1:1 ratio) to receive either laparoscopic appendectomy or treatment with intravenous (minimum 12 hours) followed by oral antibiotics (total course 10 days). Allocation to groups will be stratified by gender, duration of symptoms (≫ or \u3c48 hours) and centre. Children in both treatment groups will follow a standardised treatment pathway. Primary outcome is treatment failure defined as additional intervention related to appendicitis requiring general anaesthesia within 1 year of randomisation (including recurrent appendicitis) or negative appendectomy. Important secondary outcomes will be reported and a cost-effectiveness analysis will be performed. The primary outcome will be analysed on a non-inferiority basis using a 20% non-inferiority margin. Planned sample size is 978 children. Discussion The APPY trial will be the first multicentre randomised trial comparing non-operative treatment with appendectomy for acute uncomplicated appendicitis in children. The results of this trial have the potential to revolutionise the treatment of this common gastrointestinal emergency. The randomised design will limit the effect of bias on outcomes seen in other studies. Trial registration number clinicaltrials.gov:NCT02687464. Registered on Jan 13th 2016

A Genetic Signature of Spina Bifida Risk from Pathway-Informed Comprehensive Gene-Variant Analysis

Despite compelling epidemiological evidence that folic acid supplements reduce the frequency of neural tube defects (NTDs) in newborns, common variant association studies with folate metabolism genes have failed to explain the majority of NTD risk. The contribution of rare alleles as well as genetic interactions within the folate pathway have not been extensively studied in the context of NTDs. Thus, we sequenced the exons in 31 folate-related genes in a 480-member NTD case-control population to identify the full spectrum of allelic variation and determine whether rare alleles or obvious genetic interactions within this pathway affect NTD risk. We constructed a pathway model, predetermined independent of the data, which grouped genes into coherent sets reflecting the distinct metabolic compartments in the folate/one-carbon pathway (purine synthesis, pyrimidine synthesis, and homocysteine recycling to methionine). By integrating multiple variants based on these groupings, we uncovered two provocative, complex genetic risk signatures. Interestingly, these signatures differed by race/ethnicity: a Hispanic risk profile pointed to alterations in purine biosynthesis, whereas that in non-Hispanic whites implicated homocysteine metabolism. In contrast, parallel analyses that focused on individual alleles, or individual genes, as the units by which to assign risk revealed no compelling associations. These results suggest that the ability to layer pathway relationships onto clinical variant data can be uniquely informative for identifying genetic risk as well as for generating mechanistic hypotheses. Furthermore, the identification of ethnic-specific risk signatures for spina bifida resonated with epidemiological data suggesting that the underlying pathogenesis may differ between Hispanic and non-Hispanic groups