Electronic Properties of Topological Materials: Optical Excitations in Moebius Conjugated Polymers

Electronic structures and optical excitations in Moebius conjugated polymers are studied theoretically. Periodic and Moebius boundary conditions are applied to the tight binding model of poly(para-phenylene), taking exciton effects into account. We discuss that oligomers with a few structural units are more effective than polymers for observations of effects of discrete wave numbers that are shifted by the change in boundary condition. Next, calculations of optical absorption spectra are reported. Certain components of optical absorption for an electric field perpendicular to the polymer axis mix with absorption spectra for an electric field parallel to the polymer axis. Therefore, the polarization dependences of an electric field of light enable us to detect whether conjugated polymers have the Moebius boundary.Comment: 10 pages, 6 figures, to be published in J. Phys. Soc. Jpn., Vol. 74 No. 2 (February, 2005), Letter sectio

Spin states of zigzag-edged Mobius graphene nanoribbons from first principles

Mobius graphene nanoribbons have only one edge topologically. How the magnetic structures, previously associated with the two edges of zigzag-edged flat nanoribbons or cyclic nanorings, would change for their Mobius counterparts is an intriguing question. Using spin-polarized density functional theory, we shed light on this question. We examine spin states of zigzag-edged Mobius graphene nanoribbons (ZMGNRs) with different widths and lengths. We find a triplet ground state for a Mobius cyclacene, while the corresponding two-edged cyclacene has an open-shell singlet ground state. For wider ZMGNRs, the total magnetization of the ground state is found to increase with the ribbon length. For example, a quintet ground state is found for a ZMGNR. Local magnetic moments on the edge carbon atoms form domains of majority and minor spins along the edge. Spins at the domain boundaries are found to be frustrated. Our findings show that the Mobius topology (i.e., only one edge) causes ZMGNRs to favor one spin over the other, leading to a ground state with non-zero total magnetization.Comment: 17 pages, 4 figure

High Performance Multicell Series Inverter-Fed Induction Motor Drive

This document is the Accepted Manuscript version of the following article: M. Khodja, D. Rahiel, M. B. Benabdallah, H. Merabet Boulouiha, A. Allali, A. Chaker, and M. Denai, ‘High-performance multicell series inverter-fed induction motor drive’, Electrical Engineering, Vol. 99 (3): 1121-1137, September 2017. The final publication is available at Springer via DOI: https://doi.org/10.1007/s00202-016-0472-4.The multilevel voltage-source inverter (VSI) topology of the series multicell converter developed in recent years has led to improved converter performance in terms of power density and efficiency. This converter reduces the voltage constraints between all cells, which results in a lower transmission losses, high switching frequencies and the improvement of the output voltage waveforms. This paper proposes an improved topology of the series multicell inverter which minimizes harmonics, reduces torque ripples and losses in a variable-speed induction motor drive. The flying capacitor multilevel inverter topology based on the classical and modified phase shift pulse width modulation (PSPWM, MPSPWM) techniques are applied in this paper to minimize harmonic distortion at the inverter output. Simulation results are presented for a 2-kW induction motor drive and the results obtained demonstrate reduced harmonics, improved transient responses and reference tracking performance of the voltage in the induction motor and consequently reduced torque ripplesPeer reviewe

Mapping the internal recognition surface of an octanuclear coordination cage using guest libraries

Size and shape criteria for guest binding inside the cavity of an octanuclear cubic coordination cage in water have been established using a new fluorescence displacement assay to quantify guest binding. For aliphatic cyclic ketones of increasing size (from C5 to C11), there is a linear relationship between ΔG for guest binding and the guest’s surface area: the change in ΔG for binding is 0.3 kJ mol–1 Å–2, corresponding to 5 kJ mol–1 for each additional CH2 group in the guest, in good agreement with expectations based on hydrophobic desolvation. The highest association constant is K = 1.2 × 106 M–1 for cycloundecanone, whose volume is approximately 50% of the cavity volume; for larger C12 and C13 cyclic ketones, the association constant progressively decreases as the guests become too large. For a series of C10 aliphatic ketones differing in shape but not size, ΔG for guest binding showed no correlation with surface area. These guests are close to the volume limit of the cavity (cf. Rebek’s 55% rule), so the association constant is sensitive to shape complementarity, with small changes in guest structure resulting in large changes in binding affinity. The most flexible members of this series (linear aliphatic ketones) did not bind, whereas the more preorganized cyclic ketones all have association constants of 104–105 M–1. A crystal structure of the cage·cycloundecanone complex shows that the guest carbonyl oxygen is directed into a binding pocket defined by a convergent set of CH groups, which act as weak hydrogen-bond donors, and also shows close contacts between the exterior surface of the disc-shaped guest and the interior surface of the pseudospherical cage cavity despite the slight mismatch in shape

Symmetry in temporal logic model checking

Temporal logic model checking involves checking the state-space of a model of a system to determine whether errors can occur in the system. Often this involves checking symmetrically equivalent areas of the state-space. The use of symmetry reduction to increase the efficiency of model checking has inspired a wealth of activity in the area of model checking research. We provide a survey of the associated literature

Middle ear microbiome differences in indigenous Filipinos with chronic otitis media due to a duplication in the A2ML1 gene

Middle ear microbial profiles of indigenous Filipinos with chronic otitis media. All panels compare carriers with non-carriers of the A2ML1 duplication variant. Panel description: (A) ι-diversity by observed OTUs; (B) ι-diversity by the Shannon diversity index; (C) β-diversity from unweighted UniFrac principal coordinate analysis; (D) β-diversity from weighted UniFrac principal coordinate analysis. (PDF 1019 kb

IN VITRO EQUIVALENCE STUDY OF GENERIC METFORMIN HYDROCHLORIDE TABLETS UNDER BIOWAIVER CONDITIONS

Background: Generic drugs are smarter alternative to expensive brands, it is bio- equivalent formula of any branded drug. FDA approved that generic drugs are the safest to consume, the medicines meet the similar manufacturing standards followed while producing an innovator drug, however, the color, shape, taste and packaging of generics is different from the innovator product. In short, a generic drug should be bioequivalent to its brand counterpart. Metformin was initially marketed under the name of Glucophage®, and now the market is loaded by generics of different origin, and price variability. Method: Our study was conducted to determine whether metformin generics are bioequivalent to the innovator drug Glucophage®. In-vitro bioequivalence testing under Biowaiver conditions can predict bioequivalence in a safe, fast, and less expensive method. Thus, study was performed on Metformin tablets to assess whether generics are bioequivalent to the innovator and hence be interchangeable. Results: The quality control results of the thickness, hardness, friability, disintegration, weight uniformity, content uniformity, and assay showed that most metformin tablets complied with the USP 34 NF29 2011 specifications. Dissolution testing under biowaiver conditions showed different results. All tablets of the generics and innovator Glucophage® were able to dissolve by more than 85% within 15 min. Two generics were bioequivalent to the innovator Glucophage® having f2≥ 50 in the three dissolution media. The rest of generics showed variable results. Conclusion: Generics of metformin varied in their bioequivalency to the innovator Gluocophage®. This variation could be explained by different excipients, and manufacturing conditions. In-vivo bioequivalence testing should be conducted to confirm that the innovator could be safely interchangeable with the brand and this variation won’t affect the safety and efficacy of the drug

Towards a radiation free numerical modelling framework to predict spring assisted correction of scaphocephaly

Sagittal Craniosynostosis (SC) is a congenital craniofacial malformation, involving premature sagittal suture ossification; spring-assisted cranioplasty (SAC)–insertion of metallic distractors for skull reshaping–is an established method for treating SC. Surgical outcomes are predictable using numerical modelling, however published methods rely on computed tomography (CT) scans availability, which are not routinely performed. We investigated a simplified method, based on radiation-free 3D stereophotogrammetry scans. Eight SAC patients (age 5.1 ± 0.4 months) with preoperative CT and 3D stereophotogrammetry scans were included. Information on osteotomies, spring model and post-operative spring opening were recorded. For each patient, two preoperative models (PREOP) were created: i) CT model and ii) S model, created by processing patient specific 3D surface scans using population averaged skin and skull thickness and suture locations. Each model was imported into ANSYS Mechanical (Analysis System Inc., Canonsburg, PA) to simulate spring expansion. Spring expansion and cranial index (CI - skull width over length) at times equivalent to immediate postop (POSTOP) and follow up (FU) were extracted and compared with in-vivo measurements. Overall expansion patterns were very similar for the 2 models at both POSTOP and FU. Both models had comparable outcomes when predicting spring expansion. Spring induced CI increase was similar, with a difference of 1.2%±0.8% for POSTOP and 1.6%±0.6% for FU. This work shows that a simplified model created from the head surface shape yields acceptable results in terms of spring expansion prediction. Further modelling refinements will allow the use of this predictive tool during preoperative planning

How Might Recharge Change Under Projected Climate Change in the Western U.S.?

Although groundwater is a major water resource in the western U.S., little research has been done on the impacts of climate change on groundwater storage and recharge in the West. Here we assess the impact of projected changes in climate on groundwater recharge in the near (2021–2050) and far (2071–2100) future across the western U.S. Variable Infiltration Capacity model was run with RCP 6.0 forcing from 11 global climate models and “subsurface runoff” output was considered as recharge. Recharge is expected to decrease in the West (−5.8 ± 14.3%) and Southwest (−4.0 ± 6.7%) regions in the near future and in the South region (−9.5 ± 24.3%) in the far future. The Northern Rockies region is expected to get more recharge in the near (+5.3 ± 9.2%) and far (+11.8 ± 12.3%) future. Overall, southern portions of the western U.S. are expected to get less recharge in the future and northern portions will get more. Climate change interacts with land surface properties to affect the amount of recharge that occurs in the future. Effects on recharge due to change in vegetation response from projected changes in climate and CO2 concentration, though important, are not considered in this study.Key PointsClimate change interacts with land surface properties to affect the amount of recharge that occurs in the futureSouthern portions of the western U.S. are expected to get less and northern portions more recharge in the futureThe large variability in projected recharge across the GCMs is associated with variability in projected precipitationPeer Reviewedhttps://deepblue.lib.umich.edu/bitstream/2027.42/139906/1/grl56569.pdfhttps://deepblue.lib.umich.edu/bitstream/2027.42/139906/2/grl56569_am.pd

Balancing the immune response in the brain: IL-10 and its regulation

Background: The inflammatory response is critical to fight insults, such as pathogen invasion or tissue damage, but if not resolved often becomes detrimental to the host. A growing body of evidence places non-resolved inflammation at the core of various pathologies, from cancer to neurodegenerative diseases. It is therefore not surprising that the immune system has evolved several regulatory mechanisms to achieve maximum protection in the absence of pathology. Main body: The production of the anti-inflammatory cytokine interleukin (IL)-10 is one of the most important mechanisms evolved by many immune cells to counteract damage driven by excessive inflammation. Innate immune cells of the central nervous system, notably microglia, are no exception and produce IL-10 downstream of pattern recognition receptors activation. However, whereas the molecular mechanisms regulating IL-10 expression by innate and acquired immune cells of the periphery have been extensively addressed, our knowledge on the modulation of IL-10 expression by central nervous cells is much scattered. This review addresses the current understanding on the molecular mechanisms regulating IL-10 expression by innate immune cells of the brain and the implications of IL-10 modulation in neurodegenerative disorders. Conclusion: The regulation of IL-10 production by central nervous cells remains a challenging field. Answering the many remaining outstanding questions will contribute to the design of targeted approaches aiming at controlling deleterious inflammation in the brain.We acknowledge the Portuguese Foundation for Science and Technology (FCT) for providing a PhD grant to DLS (SFRH/BD/88081/2012) and a post-doctoral fellowship to SR (SFRH/BPD/72710/2010). DS, AGC and SR were funded by FEDER through the Competitiveness Factors Operational Programme (COMPETE) and National Funds through FCT under the scope of the project POCI-01-0145-FEDER007038; and by the project NORTE-01-0145-FEDER-000013, supported by Norte Portugal Regional Operational Programme (NORTE 2020), under the PORTUGAL 2020 Partnership Agreement, through the European Regional Development Fund (ERDF). The MS lab was financed by Fundo Europeu de Desenvolvimento Regional (FEDER) funds through the COMPETE 2020—Operacional Programme for Competitiveness and Internationalisation (POCI), Portugal 2020, and by Portuguese funds through FCT in the framework of the project “Institute for Research and Innovation in Health Sciences ” (POCI-01-0145-FEDER-007274). MS is a FCT Associate Investigator. The funding body had no role in the design of the study and collection, analysis, and interpretation of the data and in writing the manuscript