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https://www.readbyqxmd.com/read/27933695/multiconfigurational-effects-in-theoretical-resonance-raman-spectra
#1
Yingjin Ma, Stefan Knecht, Markus Reiher
We analyze resonance Raman spectra of the nucleobase uracil in the short-time approximation calculated with multiconfigurational methods. We discuss the importance of static electron correlation by means of density-matrix renormalization group self-consistent field (DMRG-SCF) calculations. Our DMRG-SCF results reveal that a minimal active orbital space that leads to a qualitatively correct description of the resonance Raman spectrum of uracil should encompass parts of the $\sigma/\sigma^{\ast}$ bonding/anti-bonding orbitals of the pyrimidine ring...
December 8, 2016: Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry
https://www.readbyqxmd.com/read/27933234/simulation-enhanced-distributed-lag-models-for-mortality-displacement
#2
Koen Simons, Ronald Buyl, An Van Nieuwenhuyse, Danny Coomans
Distributed lag models (DLM) are attractive methods for dealing with mortality displacement, however their estimates can have substantial bias when the data is generated by a multi-state model. In particular DLMs are not valid for mortality displacement. Alternative methods are scarce and lack feasibility and validation. We investigate the breakdown of DLM in three state models by means of simulation and propose simulation enhanced distributed lag models (SEDLM) to overcome the defects. The new method provides simultaneous estimates of the net effect (entry) and the displacement effect (exit)...
2016: SpringerPlus
https://www.readbyqxmd.com/read/27933227/extending-the-study-of-the-6-8-rearrangement-in-flavylium-compounds-to-higher-ph-values-interconversion-between-6-bromo-and-8-bromo-apigeninidin
#3
Luís M Cruz, Nuno M Basílio, Victor A de Freitas, João C Lima, Fernando J Pina
The rearrangement between isomers 6- and 8-bromo-apigeninidin (6 and 8) was studied by pH jumps using stopped flow, UV/Vis, NMR, and HPLC analysis. The system constitutes a pH-dependent network of chemical reactions involving up to 18 different species. The dynamic network is equivalent to a single diprotic acid exhibiting two pKas, 2.55 and 5.4. Similar to other flavylium derivatives, the mole fraction of the species hemiketal and cis-chalcone in both multistate isomers are negligible at the equilibrium...
June 2016: ChemistryOpen
https://www.readbyqxmd.com/read/27932880/hydrothermal-synthesis-of-nitrogen-doped-carbon-dots-with-real-time-live-cell-imaging-and-blood-brain-barrier-penetration-capabilities
#4
Shousi Lu, Shanshan Guo, Pingxiang Xu, Xiaorong Li, Yuming Zhao, Wei Gu, Ming Xue
Nitrogen-doped carbon dots (N-CDs) were synthesized using a one-pot hydrothermal treatment with citric acid in the presence of polyethylenimine. Transmission electron microscopy analysis revealed that the N-CDs were monodispersed and quasi-spherical with an average size of ~2.6 nm. Under ultraviolet irradiation the N-CDs emitted a strong blue luminescence with a quantum yield as high as 51%. Moreover, the N-CDs exhibited a negligible cytotoxicity and could be applied as efficient nanoprobes for real-time imaging of live cells...
2016: International Journal of Nanomedicine
https://www.readbyqxmd.com/read/27932332/the-anterolateral-capsule-of-the-knee-behaves-like-a-sheet-of-fibrous-tissue
#5
Daniel Guenther, Amir A Rahnemai-Azar, Kevin M Bell, Sebastián Irarrázaval, Freddie H Fu, Volker Musahl, Richard E Debski
BACKGROUND: The function of the anterolateral capsule of the knee has not been clearly defined. However, the contribution of this region of the capsule to knee stability in comparison with other anterolateral structures can be determined by the relative force that each structure carries during loading of the knee. PURPOSE/HYPOTHESIS: The purpose of this study was to determine the forces in the anterolateral structures of the intact and anterior cruciate ligament (ACL)-deficient knee in response to an anterior tibial load and internal tibial torque...
December 8, 2016: American Journal of Sports Medicine
https://www.readbyqxmd.com/read/27931923/assessing-the-sensitivity-of-european-surveillance-for-detecting-bse-in-cattle-according-to-international-standards
#6
Amie Adkin, Robin Simons, Mark Arnold
European surveillance for Bovine Spongiform Encephalopathy (BSE), initiated in 2001, has shown a steady exponential decline in the number of infected cattle, demonstrating that control measures have been effective. In 2016 23 European countries out of 28 demonstrated negligible risk status for the disease. The international standard setting body, the World Organization for Animal Health (OIE), prescribes that for countries where there is a non-negligible BSE risk, surveillance should allow the detection of one case per 100,000 in the adult cattle population with 95% confidence (Type A surveillance)...
December 1, 2016: Preventive Veterinary Medicine
https://www.readbyqxmd.com/read/27931881/pm2-5-source-attribution-for-seoul-in-may-from-2009-to-2013-using-geos-chem-and-its-adjoint-model
#7
Hyung-Min Lee, Rokjin J Park, Daven K Henze, Seungun Lee, Changsub Shim, Hye-Jung Shin, Kwang-Joo Moon, Jung-Hun Woo
Enforcement of an air quality standard for PM2.5 in the Seoul metropolitan area (SMA) was enacted in 2015. From May to June of 2016, an international airborne and surface measurement campaign took place to investigate air pollution mechanisms in the SMA. The total and speciated PM2.5 concentrations since 2008 have been measured at an intensive monitoring site for the SMA operated by the National Institute of Environmental Research (NIER). To gain insight on the trends and sources of PM2.5 in the SMA in May, we analyze PM2...
December 5, 2016: Environmental Pollution
https://www.readbyqxmd.com/read/27931816/red-blood-cell-pig-a-assay-and-pigret-assay-in-rats-with-azathioprine
#8
Ikuma Yoshida, Akemi Matsumoto, Yumi Sakai, Yumiko Harada, Tsuneo Hashizume
A new in vivo gene mutation assay has been developed based on the phosphatidylinositol glycan anchor biosynthesis, Class A gene (Pig-a in rodents) as an endogenous reporter. Using this Pig-a assay, the in vivo mutagenicity of a single dose of azathioprine (Aza) was investigated in red blood cells (RBC Pig-a assay) and reticulocytes (PIGRET) of rats. Eight-week old male rats were orally dosed once with Aza at 50, 100 and 200mg/kg or ethylnitrosourea (ENU) at 10 and 40mg/kg as a positive control. Because 4 out of 6 animals at 200mg/kg of Aza died 3days after the dosing, this dose group was excluded for analyses...
November 15, 2016: Mutation Research
https://www.readbyqxmd.com/read/27931638/complications-of-diagnostic-and-therapeutic-endoscopic-ultrasound
#9
REVIEW
Sundeep Lakhtakia
Endoscopic Ultrasound (EUS) provides the unique opportunity to visualize, interrogate and intervene gastrointestinal (GI) luminal, mural or peri-luminal structures and pathology with negligible adverse effects. Diagnostic, upper GI and rectal EUS is feasible, extremely safe, and efficacious. Most EUS guided interventions are safe, effective and minimally invasive, compared to peers in the percutaneous radiological or surgical procedures. As with any endoscopic procedure, EUS and its guided interventions may be accompanied by adverse events...
October 2016: Best Practice & Research. Clinical Gastroenterology
https://www.readbyqxmd.com/read/27931191/experiences-of-health-care-in-women-with-peripartum-cardiomyopathy-in-sweden-a-qualitative-interview-study
#10
Harshida Patel, Maria Schaufelberger, Cecily Begley, Marie Berg
BACKGROUND: Peripartum cardiomyopathy is often associated with severe heart failure occurring towards the end of pregnancy or in the months following birth with debilitating, exhausting and frightening symptoms requiring person-centered care. The aim of this study was to explore women's experiences of health care while being diagnosed with peripartum cardiomyopathy. METHOD: Qualitative interviews were conducted with 19 women with peripartum cardiomyopathy in Sweden, following consent...
December 8, 2016: BMC Pregnancy and Childbirth
https://www.readbyqxmd.com/read/27930895/osteoarthrosis-of-temporomandibular-joint-related-to-the-defects-of-posterior-dentition-a-retrospective-study
#11
Jitka Levorová, Vladimír Machoň, Anasuya Guha, René Foltán
Osteoarthrosis (OA) of temporomandibular joint (TMJ) is a progressive degenerative disease, gradually affecting cartilage, synovial membrane and bone structures. OA of TMJ clinically manifests with joint noises, pain and restricted mouth opening. In late stages, it results in severe damage of TMJ structures and development of ankylosis. Osteoarthrosis is a multifactorial disease; the occurrence is associated with TMJ overloading. The cohort included 619 patients [538 women (87%) and 81 men (13%), with average age 40...
2016: Prague Medical Report
https://www.readbyqxmd.com/read/27930879/melanoma-exosomes-deliver-a-complex-biological-payload-that-upregulates-ptpn11-to-suppress-t-lymphocyte-function
#12
Yueting Wu, Wentao Deng, Emily Chambers McGinley, David J Klinke
As exosomes are emerging as a new mode of intercellular communication, we hypothesized that the payload contained within exosomes is shaped by somatic evolution. To test this, we assayed the impact on primary CD8+ T cell function, a key mechanism for anti-tumor immunity, of exosomes derived from three melanoma-related cell lines. While morphologically similar, exosomes from each cell line were functionally different, as B16F0 exosomes dose-dependently suppressed T cell proliferation. In contrast, Cloudman S91 exosomes promoted T cell proliferation and Melan-A exosomes had a negligible effect on primary CD8+ T cells...
December 8, 2016: Pigment Cell & Melanoma Research
https://www.readbyqxmd.com/read/27929504/gafchromic-ebt-xd-film-dosimetry-characterization-in-high-dose-volumetric-modulated-arc-therapy
#13
Hideharu Miura, Shuichi Ozawa, Fumika Hosono, Naoki Sumida, Toshiya Okazue, Kiyoshi Yamada, Yasushi Nagata
Radiochromic films are important tools for assessing complex dose distributions. Gafchromic EBT-XD films have been designed for optimal performance in the 40-4,000 cGy dose range. We investigated the dosimetric characteristics of these films, including their dose-response, postexposure density growth, and dependence on scanner orientation, beam energy, and dose rate with applications to high-dose volumetric-modulated arc therapy (VMAT) verification. A 10 MV beam from a TrueBeam STx linear accelerator was used to irradiate the films with doses in the 0-4,000 cGy range...
November 8, 2016: Journal of Applied Clinical Medical Physics
https://www.readbyqxmd.com/read/27929490/rounded-leaf-end-modeling-in-pinnacle-vmat-treatment-planning-for-fixed-jaw-linacs
#14
Lori A Young, Fei Yang, Ning Cao, Juergen Meyer
During volume-modulated arc therapies (VMAT), dosimetric errors are introduced by multiple open dynamic leaf gaps that are present in fixed diaphragm linear accelerators. The purpose of this work was to develop a methodology for adjusting the rounded leaf end modeling parameters to improve out-of-field dose agreement in SmartArc VMAT treatment plans delivered by fixed jaw linacs where leaf gap dose is not negligible. Leaf gap doses were measured for an Elekta beam modulator linac with 0.4 cm micro-multileaf collimators (MLC) using an A16 micro-ionization chamber, a MatriXX ion chamber detector array, and Kodak EDR2 film dosimetry in a solid water phantom...
November 8, 2016: Journal of Applied Clinical Medical Physics
https://www.readbyqxmd.com/read/27929484/dosimetric-assessment-of-brass-mesh-bolus-for-postmastectomy-photon-radiotherapy
#15
Ryan Manger, Adam Paxton, Laura Cerviño
Brass mesh bolus has been shown to be an acceptable substitute for tissue-equivalent bolus to increase superficial dose for chest wall tangent photon radiotherapy. This work investigated the increase in surface dose, the change in the dose at depth, and the safety implications of higher energy photon beams when using brass mesh bolus for postmastectomy chest wall radiotherapy. A photon tangent plan was delivered to a thorax phantom, and the superficial dose ranged from 40%-72% of prescription dose with no bolus...
July 25, 2016: Journal of Applied Clinical Medical Physics
https://www.readbyqxmd.com/read/27929394/metabolism-of-ht-2-toxin-and-t-2-toxin-in-oats
#16
Jacqueline Meng-Reiterer, Christoph Bueschl, Justyna Rechthaler, Franz Berthiller, Marc Lemmens, Rainer Schuhmacher
The Fusarium mycotoxins HT-2 toxin (HT2) and T-2 toxin (T2) are frequent contaminants in oats. These toxins, but also their plant metabolites, may contribute to toxicological effects. This work describes the use of (13)C-assisted liquid chromatography-high-resolution mass spectrometry for the first comprehensive study on the biotransformation of HT2 and T2 in oats. Using this approach, 16 HT2 and 17 T2 metabolites were annotated including novel glycosylated and hydroxylated forms of the toxins, hydrolysis products, and conjugates with acetic acid, putative malic acid, malonic acid, and ferulic acid...
December 5, 2016: Toxins
https://www.readbyqxmd.com/read/27929304/enduring-mental-health-prevalence-and-prediction
#17
Jonathan D Schaefer, Avshalom Caspi, Daniel W Belsky, Honalee Harrington, Renate Houts, L John Horwood, Andrea Hussong, Sandhya Ramrakha, Richie Poulton, Terrie E Moffitt
We review epidemiological evidence indicating that most people will develop a diagnosable mental disorder, suggesting that only a minority experience enduring mental health. This minority has received little empirical study, leaving the prevalence and predictors of enduring mental health unknown. We turn to the population-representative Dunedin cohort, followed from birth to midlife, to compare people never-diagnosed with mental disorder (N = 171; 17% prevalence) to those diagnosed at 1-2 study waves, the cohort mode (N = 409)...
December 1, 2016: Journal of Abnormal Psychology
https://www.readbyqxmd.com/read/27929124/novel-design-of-iridium-phosphors-with-pyridinylphosphinate-ligands-for-high-efficiency-blue-organic-light-emitting-diodes
#18
Zheng-Guang Wu, Yi-Ming Jing, Guang-Zhao Lu, Jie Zhou, You-Xuan Zheng, Liang Zhou, Yi Wang, Yi Pan
Due to the high quantum efficiency and wide scope of emission colors, iridium (Ir) (III) complexes have been widely applied as guest materials for OLEDs (organic light-emitting diodes). Contrary to well-developed Ir(III)-based red and green phosphorescent complexes, the efficient blue emitters are rare reported. Like the development of the LED, the absence of efficient and stable blue materials hinders the widely practical application of the OLEDs. Inspired by this, we designed two novel ancillary ligands of phenyl(pyridin-2-yl)phosphinate (ppp) and dipyridinylphosphinate (dpp) for efficient blue phosphorescent iridium complexes (dfppy)2Ir(ppp) and (dfppy)2Ir(dpp) (dfppy = 2-(2,4-difluorophenyl)pyridine) with good electron transport property...
December 8, 2016: Scientific Reports
https://www.readbyqxmd.com/read/27928885/silica-supported-polymeric-monolithic-column-with-a-mixed-mode-of-hydrophilic-and-strong-cation-exchange-interactions-for-microcolumn-liquid-chromatography
#19
Hang Ren, Xinyue Zhang, Zhen Li, Zhaobin Liu, Jinxiang Li
A novel sulfonic acid group containing hydrophilic strong cation-exchange monolith was prepared by in situ coating 5 μm bare silica particles with the copolymers of glycidyl methacrylate and pentaerythritol triacrylate and further sulfonating the prepared polymer matrix with Na2 SO3 inside a 150 μm I.D. capillary. The preparation conditions were investigated and the method was described in detail. The prepared column was characterized by comparing with its counterparts reported previously in terms of matrix morphology, preparation reproducibility, permeability, swelling-shrinking behavior, mechanical stability, hydrophilicity, binding capacity, and column efficiency...
December 8, 2016: Journal of Separation Science
https://www.readbyqxmd.com/read/27928712/error-and-discrepancy-in-radiology-inevitable-or-avoidable
#20
REVIEW
Adrian P Brady
: Errors and discrepancies in radiology practice are uncomfortably common, with an estimated day-to-day rate of 3-5% of studies reported, and much higher rates reported in many targeted studies. Nonetheless, the meaning of the terms "error" and "discrepancy" and the relationship to medical negligence are frequently misunderstood. This review outlines the incidence of such events, the ways they can be categorized to aid understanding, and potential contributing factors, both human- and system-based...
December 7, 2016: Insights Into Imaging
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