Redox supercapacitor performance of nanocrystalline molybdenum nitrides obtained by ammonolysis of chloride- and amide-derived precursors

Reactions of MoCl5 or Mo(NMe2)4 with ammonia result in cubic ?-Mo2N or hexagonal ?1-MoN depending on reaction time and temperature. At moderate temperatures the cubic product from Mo(NMe2)4 exhibits lattice distortions. Fairly high surface areas are observed in the porous particles of the chloride-derived materials and high capacitances of up to 275 F g?1 are observed when electrodes made from them are cycled in aqueous H2SO4 or K2SO4 electrolytes. The cyclic voltammograms suggest charge is largely stored in the electrochemical double layer at the surface of these materials. Amide-derived molybdenum nitrides have relatively low surface areas and smaller capacitances, but do exhibit strong redox features in their cyclic voltammograms, suggesting that redox capacitance is responsible for a significant proportion of the charge stored

Comparative evaluation of two different fiber-reinforced composite materials in class 1 post-endodontic restorations in molars—a randomized clinical study

This study aimed to evaluate and compare two different fiber-reinforced composite materials in class I post-endodontic restoration in molars. A total of 50 patients were randomly assigned into two groups (n = 25 for each group); group A: everX Posterior (packable composite) with a top layer of solareX (nano-hybrid composite) and group B: everX Flow (flowable composite) with a top layer of G-aenial universal injectable (flowable composite). Patients were evaluated immediately after the procedure (baseline), at 6 months, and at 1 year time intervals based on the modified USPHS criteria. The statistical analysis using a chi-square test showed no statistically significant difference in the clinical performance of group A and group B. Clinical performance of the combination of everX Flow with overlying G-aenial universal injectable composite proved to be comparable with everX Posterior with overlying solareX composite as post-endodontic restorations in class I lesions in permanent molars

Comparative evaluation of the sealing ability of a bioceramic sealer (iRoot SP) with AH plus sealer with root canal dentin using three different techniques of sealer application: a combined dye extraction and scanning electron microscope study

The adaptation of a sealer along with the periphery of the dentinal tubules of the root canal is studied. Various techniques have been used for the application of these sealers onto the canal wall for better adaptation but have not been compared to date. The purpose of the study was to comparatively evaluate the sealing ability of a bioceramic sealer with AH plus sealer with root canal dentin using three different techniques for the application of sealer. One hundred twenty extracted maxillary and mandibular anterior teeth were collected, disinfected, and decoronated at the cemento-enamel junction to maintain a standard working length for all samples. The establishment of the working length (40.10) and instrumentation was performed using a rotary instrument, along with a standard irrigation regimen. The teeth were then divided into two main groups according to the sealer used, i.e., Group A (AH Plus) and Group B (iRoot SP). These two main groups were categorized into three sub-groups depending on the technique of sealer placement, i.e., Subgroup 1 (master cone gutta-percha), Subgroup 2 (bidirectional spiral), and Subgroup 3 (passive ultrasonic activation). Out of the 20 samples, 15 samples were randomly allocated for the assessment of sealing ability using the routine dye extraction method, and to verify the results of the dye extraction method, a more advanced evaluation method, i.e., SEM evaluation, was utilized further. To this end, five random samples from each subgroup were allocated for SEM analysis. The obtained scores were then statistically analyzed using an ANOVA test and Post Hoc Tukey’s test. In the current study, statistical significance was seen among the three main groups and six subgroups with p-values < 0.005. Subgroup B3 performed significantly better than the other subgroups in both the dye extraction method as well as in SEM analysis. The highest microleakage was shown by subgroup A1; it also exhibited poor penetration of sealer in SEM evaluation. The bioceramic sealer (iRoot SP), when applied using passive ultrasonic activation, showed the best results in both the dye extraction method and the SEM evaluation

Ab initio molecular dynamics using density based energy functionals: application to ground state geometries of some small clusters

The ground state geometries of some small clusters have been obtained via ab initio molecular dynamical simulations by employing density based energy functionals. The approximate kinetic energy functionals that have been employed are the standard Thomas-Fermi $(T_{TF})$ along with the Weizsacker correction $T_W$ and a combination $F(N_e)T_{TF} + T_W$. It is shown that the functional involving $F(N_e)$ gives superior charge densities and bondlengths over the standard functional. Apart from dimers and trimers of Na, Mg, Al, Li, Si, equilibrium geometries for $Li_nAl, n=1,8$ and $Al_{13}$ clusters have also been reported. For all the clusters investigated, the method yields the ground state geometries with the correct symmetries with bondlengths within 5\% when compared with the corresponding results obtained via full orbital based Kohn-Sham method. The method is fast and a promising one to study the ground state geometries of large clusters.Comment: 15 pages, 3 PS figure

Manipulation of drugs to achieve the required dose is intrinsic to paediatric practice but is not supported by guidelines or evidence

Background: A lack of age-appropriate formulations can make it difficult to administer medicines to children. A manipulation of the dosage form may be required to achieve the required dose. This study aimed to describe medicines that are manipulated to achieve the required dose in paediatric practice.Method: A structured, undisguised observational study and postal survey. The observational study investigated drug manipulations occurring in clinical practice across three sites. The questionnaire, administered to a sample of paediatric nurses throughout the UK, surveyed manipulations conducted and nurses' experiences and views.Results: The observational study identified 310 manipulations, of which 62% involved tablets, 21% were intravenous drugs and 10% were sachets. Of the 54 observed manipulations 40 involved tablets with 65% of the tablets being cut and 30% dispersed to obtain a smaller dose. 188 manipulations were reported by questionnaire respondents, of these 46% involved tablets, 12% were intravenous drugs, and 12% were nebuliser solutions. Manipulations were predominantly, but not exclusively, identified in specialist clinical areas with more highly dependent patients. Questionnaire respondents were concerned about the accuracy of the dose achieved following manipulations and the lack of practice guidance.Conclusion: Manipulations to achieve the required dose occur throughout paediatric in-patient settings. The impact of manipulations on the efficacy of the drugs, the accuracy of the dose and any adverse effects on patients is not known. There is a need to develop evidence-based guidance for manipulations of medicines in children

Forty years on: Uta Frith's contribution to research on autism and dyslexia, 1966–2006

Uta Frith has made a major contribution to our understanding of developmental disorders, especially autism and dyslexia. She has studied the cognitive and neurobiological bases of both disorders and demonstrated distinctive impairments in social cognition and central coherence in autism, and in phonological processing in dyslexia. In this enterprise she has encouraged psychologists to work in a theoretical framework that distinguishes between observed behaviour and the underlying cognitive and neurobiological processes that mediate that behaviour

Kinetics of four-wave mixing for a 2D magneto-plasma in strong magnetic fields

We investigate the femtosecond kinetics of an optically excited 2D magneto-plasma at intermediate and high densities under a strong magnetic field perpendicular to the quantum well (QW). We assume an additional weak lateral confinement which lifts the degeneracy of the Landau levels partially. We calculate the femtosecond dephasing and relaxation kinetics of the laser pulse excited magneto-plasma due to bare Coulomb potential scattering, because screening is under these conditions of minor importance. In particular the time-resolved and time-integrated four-wave mixing (FWM) signals are calculated by taking into account three Landau subbands in both the valance and the conduction band assuming an electron-hole symmetry. The FWM signals exhibit quantum beats mainly with twice the cyclotron frequency. Contrary to general expectations, we find no pronounced slowing down of the dephasing with increasing magnetic field. On the contrary, one obtains a decreasing dephasing time because of the increase of the Coulomb matrix elements and the number of states in a given Landau subband. In the situation when the loss of scattering channels exceeds these increasing effects, one gets a slight increase at the dephasing time. However, details of the strongly modulated scattering kinetics depend sensitively on the detuning, the plasma density, and the spectral pulse width relative to the cyclotron frequency.Comment: 13 pages, in RevTex format, 10 figures, Phys. Rev B in pres

High-spatial-resolution mapping and source apportionment of aerosol composition in Oakland, California, using mobile aerosol mass spectrometry

We investigated spatial and temporal patterns in the concentration and composition of submicron particulate matter (PM1) in Oakland, California, in the summer of 2017 using an aerosol mass spectrometer mounted in a mobile laboratory. We performed  ∼ 160&thinsp;h of mobile sampling in the city over a 20-day period. Measurements are compared for three adjacent neighborhoods with distinct land uses: a central business district (downtown), a residential district (West Oakland), and a major shipping port (port). The average organic aerosol (OA) concentration is 5.3&thinsp;µg&thinsp;m−3 and contributes  ∼ 50&thinsp;% of the PM1 mass. OA concentrations in downtown are, on average, 1.5&thinsp;µg&thinsp;m−3 higher than in West Oakland and port. We decomposed OA into three factors using positive matrix factorization: hydrocarbon-like OA (HOA; 20&thinsp;% average contribution), cooking OA (COA; 25&thinsp;%), and less-oxidized oxygenated OA (LO-OOA; 55&thinsp;%). The collective 45&thinsp;% contribution from primary OA (HOA&thinsp;+&thinsp;COA) emphasizes the importance of primary emissions in Oakland. The dominant source of primary OA shifts from HOA-rich in the morning to COA-rich after lunchtime. COA in downtown is consistently higher than West Oakland and port due to a large number of restaurants. HOA exhibits variability in space and time. The morning-time HOA concentration in downtown is twice that in port, but port HOA increases more than two-fold during midday, likely because trucking activity at the port peaks at that time. While it is challenging to mathematically apportion traffic-emitted OA between drayage trucks and cars, combining measurements of OA with black carbon and CO suggests that while trucks have an important effect on OA and BC at the port, gasoline-engine cars are the dominant source of traffic emissions in the rest of Oakland. Despite the expectation of being spatially uniform, LO-OOA also exhibits spatial differences. Morning-time LO-OOA in downtown is roughly 25&thinsp;% ( ∼ 0.6&thinsp;µg&thinsp;m−3) higher than the rest of Oakland. Even as the entire domain approaches a more uniform photochemical state in the afternoon, downtown LO-OOA remains statistically higher than West Oakland and port, suggesting that downtown is a microenvironment with higher photochemical activity. Higher concentrations of particulate sulfate (also of secondary origin) with no direct sources in Oakland further reflect higher photochemical activity in downtown. A combination of several factors (poor ventilation of air masses in street canyons, higher concentrations of precursor gases, higher concentrations of the hydroxyl radical) likely results in the proposed high photochemical activity in downtown. Lastly, through Van Krevelen analysis of the elemental ratios (H&thinsp;∕&thinsp;C, O&thinsp;∕&thinsp;C) of the OA, we show that OA in Oakland is more chemically reduced than several other urban areas. This underscores the importance of primary emissions in Oakland. We also show that mixing of oceanic air masses with these primary emissions in Oakland is an important processing mechanism that governs the overall OA composition in Oakland.</p

Thermodynamics of Na_8 and Na_{20} clusters studied with ab-initio electronic structure methods

We study the thermodynamics of Na_8 and Na_{20} clusters using multiple-histogram methods and an ab initio treatment of the valence electrons within density functional theory. We consider the influence of various electron kinetic-energy functionals and pseudopotentials on the canonical ionic specific heats. The results for all models we consider show qualitative similarities, but also significant temperature shifts from model to model of peaks and other features in the specific-heat curves. The use of phenomenological pseudopotentials shifts the melting peak substantially (~ 50--100 K) when compared to ab-initio results. It is argued that the choice of a good pseudopotential and use of better electronic kinetic-energy functionals has the potential for performing large time scale and large sized thermodynamical simulations on clusters.Comment: LaTeX file and EPS figures. 24 pages, 13 figures. Submitted to Phys. Rev.