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

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

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

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

The role of different microbiota in metastatic brain tumors

View full abstracthttps://openworks.mdanderson.org/leading-edge/1005/thumbnail.jp

The Esthetic Perception of Morphological Severity in Scaphocephalic Patients is Correlated With Specific Head Geometrical Features

OBJECTIVE: To investigate the relationship between perception of craniofacial deformity, geometric head features, and 3D head shape analyzed by statistical shape modeling (SSM). PATIENTS: A total of 18 unoperated patients with scaphocephaly (age  =  5.2  ±  1.1m)-6 were followed-up after spring-assisted cranioplasty (SAC) (age  =  9.6  ±  1.5m)-and 6 controls (age  =  6.7  ±  2.5m). MAIN OUTCOME MEASURES: 3D head shapes were retrieved from 3D scans or computed tomography (CTs). Various geometrical features were measured: anterior and posterior prominence, take-off angle, average anterior and posterior lateral and horizontal curvatures, cranial index (CI) (cranial width over length), and turricephaly index (TI) (cranial height over length). SSM and principal component analysis (PCA) described shape variability. All models were 3D printed; the perception of deformity was blindly scored by 9 surgeons and 1 radiologist in terms of frontal bossing (FB), occipital bulleting (OB), biparietal narrowing (BN), low posterior vertex (LPV), and overall head shape (OHS). RESULTS: A moderate correlation was found between FB and anterior prominence (r  =  0.56, P < .01) and take-off angle (r  =  - 0.57, P < .01). OB correlated with average posterior lateral curvature (r  =  0.43, P < 0.01) similarly to BPN (r  =  0.55, P < .01) and LPV (r  =  0.43, P < .01). OHS showed strong correlation with CI (r  =   - 0.68, P < .01) and TI (r  =  0.63, P< .01). SSM Mode 1 correlated with OHS (r  =  0.66, p < .01) while Mode 3 correlated with FB (r  =   - 0.58, P < .01). CONCLUSIONS: Esthetic cranial appearance in craniofacial patients is correlated to specific geometric parameters and could be estimated using automated methods such as SSM

Elucidating the Role of Microbiome in Low- and High-Grade Glioma

https://openworks.mdanderson.org/sumexp22/1117/thumbnail.jp

Fretting corrosion of screws contribute to the fixation failure of the femoral neck: a case report

Fretting corrosion of metal implants has been associated with implant failure and revision surgeries. This report describes the fixation failure of a femoral neck fracture in a 61-year-old male patient due to corrosion of three cannulated screws. Radiographic evaluation at the time of primary surgery demonstrated well-positioning of the cannulated screws. The patient had no significant medical comorbidities at the time of surgery. However, screw loosening and avascular necrosis were diagnosed after 5 years. At the revision surgery, inflammatory serological markers, C-reactive protein and erythrocyte sedimentation rate showed no signs of infections, and screws were retrieved. Scanning electron microscopy observations showed that all screws were subjected to fretting corrosion which led to discolouration, pitting attack, and cracking. Thus, Fretting corrosion may have contributed to the failure of the fixation of screws

The intrahepatic signalling niche of hedgehog is defined by primary cilia positive cells during chronic liver injury

Background & Aims: In vertebrates, canonical Hedgehog (Hh) pathway activation requires Smoothened (SMO) translocation to the primary cilium (Pc), followed by a GLI-mediated transcriptional response. In addition, a similar gene regulation occurs in response to growth factors/cytokines, although independently of SMO signalling. The Hh pathway plays a critical role in liver fibrosis/regeneration; however, the mechanism of activation in chronic liver injury is poorly understood. This study aimed to characterise Hh pathway activation upon thioacetamide (TAA)- induced chronic liver injury in vivo by defining Hh-responsive cells, namely cells harbouring Pc and Pc-localised SMO. Methods: C57BL/6 mice (wild-type or Ptc1+/_) were TAA-treated. Liver injury and Hh ligand/pathway mRNA and protein expression were assessed in vivo. SMO/GLI manipulation and SMO dependent/ independent activation of GLI-mediated transcriptional response in Pc-positive (Pc+) cells were studied in vitro. Results: In vivo, Hh activation was progressively induced following TAA. At the epithelial-mesenchymal interface, injured hepatocytes produced Hh ligands. Progenitors, myofibroblasts, leukocytes and hepatocytes were GLI2+. Pc+ cells increased following TAA, but only EpCAM+/GLI2+ progenitors were Pc+/SMO+. In vitro, SMO knockdown/hGli3-R overexpression reduced proliferation/viability in Pc+ progenitors, whilst increased proliferation occurred with hGli1 overexpression. HGF induced GLI transcriptional activity independently of Pc/SMO. Ptc1+/_ mice exhibited increased progenitor, myofibroblast and fibrosis responses. Conclusions: In chronic liver injury, Pc+ progenitors receive Hh ligand signals and process it through Pc/SMO-dependent activation of GLI-mediated transcriptional response. Pc/SMO-independent GLI activation likely occurs in Pc_/GLI2+ cells. Increased fibrosis in Hh gain-of-function mice likely occurs by primary progenitor expansion/proliferation and secondary fibrotic myofibroblast expansion, in close contact with progenitors