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I Aumann, K Rozanski, K Damm, J-M Graf von der Schulenburg
Aim of the Study: Through the promotion of smoking cessation premature mortality can be prevented. Therefore it is necessary to provide effective and cost-effective smoking cessation interventions. In Germany the cost of pharmacological smoking cessation measures are not yet reimbursed by the statutory health insurance. The aim of this study is to present the evidence on the cost-effectiveness of already approved pharmacological smoking cessation therapies and to evaluate their quality. Method: A systematic literature research was conducted in the databases by DIMDI (Medline, Embase, etc...
October 2016: Das Gesundheitswesen
Mayara Caroline Barbieri, Gabriela Van Der Zwaan Broekman, Renata Olzon Dionysio de Souza, Regina Aparecida Garcia de Lima, Monika Wernet, Giselle Dupas
This study aimed to understand the interactions established between social support networks and families that have children and adolescents with visual impairment, in two different cities in the state of Sao Paulo, Brazil. This was a qualitative, descriptive study with symbolic interactionism as a theoretical framework. A genogram, ecomap and semi-structured interviews with 18 families were used. The method adopted for data analysis was narrative analysis. Two themes were found: potentials derived from the relationship with the support network, and, counterpoints in the support network...
October 2016: Ciência & Saúde Coletiva
Zhida Zheng, Xiaocha Wang, Wenbo Mi
The strain and electric-field effects on the electronic structure of MoTe2/WTe2 van der Waals heterostructures are investigated by first-principles calculations. The MoTe2/WTe2 heterostructures are indirect band gap semiconductors under different strains except for 2%. At a strain from  -6% to 6% under a zero electric field, the band gap is 0.56, 0.62, 0.69, 0.62, 0.46, 0.37 and 0.29 eV, respectively. Meanwhile, spin splitting at the conduction band minimum (CBM) decreases monotonically from 76-1 meV, and that at the valance band maximum (VBM) is 232, 266, 292, 307, 319, 302 and 283 meV...
October 26, 2016: Journal of Physics. Condensed Matter: An Institute of Physics Journal
Hendrik Poorter, Fabio Fiorani, Roland Pieruschka, Tobias Wojciechowski, Wim H van der Putten, Michael Kleyer, Uli Schurr, Johannes Postma
I. II. III. IV. V. VI. VII. VIII. References Appendix SUMMARY: Plant biologists often grow plants in growth chambers or glasshouses with the ultimate aim to understand or improve plant performance in the field. What is often overlooked is how results from controlled conditions translate back to field situations. A meta-analysis showed that lab-grown plants had faster growth rates, higher nitrogen concentrations and different morphology. They remained smaller, however, because the lab plants had grown for a much shorter time...
October 26, 2016: New Phytologist
Eveline P C J Janssen, Sebastian Köhler, Coen D A Stehouwer, Nicolaas C Schaper, Pieter C Dagnelie, Simone J S Sep, Ronald M A Henry, Carla J H van der Kallen, Frans R Verhey, Miranda T Schram
OBJECTIVES: To assess the psychometric properties and identify the best cutoff value of the Patient Health Questionnaire-9 (PHQ-9) for depression screening in individuals with type 2 diabetes mellitus (T2DM). DESIGN: Observational population-based cohort study. SETTING: The Maastricht Study. PARTICIPANTS: Individuals with and without T2DM (mean age 58.6 ± 8.1, 44.6% male) according to an oral glucose tolerance test (N = 2,997)...
October 26, 2016: Journal of the American Geriatrics Society
Spencer C Peck, Wilfred A van der Donk
This review discusses the current mechanistic understanding of a group of mononuclear non-heme iron-dependent enzymes that catalyze four-electron oxidation of their organic substrates without the use of any cofactors or cosubstrates. One set of enzymes acts on α-ketoacid-containing substrates, coupling decarboxylation to oxygen activation. This group includes 4-hydroxyphenylpyruvate dioxygenase, 4-hydroxymandelate synthase, and CloR involved in clorobiocin biosynthesis. A second set of enzymes acts on substrates containing a thiol group that coordinates to the iron...
October 25, 2016: Journal of Biological Inorganic Chemistry: JBIC
Christophe Walgraeve, Patrick De Wispelaere, Fé Van der Elst, Herman Van Langenhove
An analytical method was developed and optimized for the quantification of 16 polycyclic aromatic hydrocarbons (PAHs) and 12 oxygenated PAHs in Taxus baccata leaves. Emphasis was given to the development of an in-cell cleanup step using pressurized solvent extraction, a cleanup step using solid-phase extraction, and the instrumental analysis by GC-HRMS. Different extraction temperatures (between 50 and 200 °C) and Florisil quantities were evaluated for the extraction process. Based on the evaluation of both recoveries and matrix effect factors, a temperature of 200 °C and 1 g Florisil was selected as the optimum...
October 25, 2016: Analytical and Bioanalytical Chemistry
John P Veluchamy, A Marijne Heeren, Jan Spanholtz, Jaap D H van Eendenburg, Daniëlle A M Heideman, Gemma G Kenter, Henk M Verheul, Hans J van der Vliet, Ekaterina S Jordanova, Tanja D de Gruijl
Down-regulation of HLA in tumor cells, low numbers and dysfunctionality of NK cells are commonly observed in patients with end-stage cervical cancer. Adoptive transfer of high numbers of cytotoxic NK cells might be a promising treatment approach in this setting. Here, we explored the cytotoxic efficacy on ten cervical cancer cell lines of activated allogeneic NK cells from two sources, i.e., peripheral blood (PBNK) with and without cetuximab (CET), a tumor-specific monoclonal antibody directed against EGFR, or derived from umbilical cord blood (UCB-NK)...
October 25, 2016: Cancer Immunology, Immunotherapy: CII
Marlon E Buncamper, Wouter B van der Sluis, Roos S D van der Pas, Müjde Özer, Jan Maerten Smit, Birgit I Witte, Mark-Bram Bouman, Margriet G Mullender
BACKGROUND: For many transgender women, vaginoplasty is the final stage in the gender-confirming process. Penile inversion vaginoplasty is considered the gold standard for vaginal construction in transgender women. In this study, the authors assessed intraoperative and postoperative complications after penile inversion vaginoplasty. METHODS: All patients who underwent penile inversion vaginoplasty between January of 2000 and January of 2014 were identified retrospectively from the authors' hospital registry...
November 2016: Plastic and Reconstructive Surgery
Wilson Bautista-Molano, Robert B M Landewé, Cesar Serna, Rafael Valle-Oñate, Désirée van der Heijde
OBJECTIVES: To evaluate the patients' characteristics associated with the clinical decision to request SI-MRI and/or HLA-B27 in patients with SpA in daily practice. METHODS: Patients referred to a rheumatology outpatient-clinic in a national referral-centre were selected. Patients with a clinical diagnosis of SpA according to the rheumatologist were included. SI-MRI and HLA-B27 was available for patients in whom the rheumatologists had ordered these tests. Characteristics associated with ordering SI-MRI or HLA-B27 were identified with univariable analyses...
October 26, 2016: Clinical and Experimental Rheumatology
Tracy L Stockley, Amit M Oza, Hal K Berman, Natasha B Leighl, Jennifer J Knox, Frances A Shepherd, Eric X Chen, Monika K Krzyzanowska, Neesha Dhani, Anthony M Joshua, Ming-Sound Tsao, Stefano Serra, Blaise Clarke, Michael H Roehrl, Tong Zhang, Mahadeo A Sukhai, Nadia Califaretti, Mateya Trinkaus, Patricia Shaw, Theodorus van der Kwast, Lisa Wang, Carl Virtanen, Raymond H Kim, Albiruni R A Razak, Aaron R Hansen, Celeste Yu, Trevor J Pugh, Suzanne Kamel-Reid, Lillian L Siu, Philippe L Bedard
BACKGROUND: The clinical utility of molecular profiling of tumor tissue to guide treatment of patients with advanced solid tumors is unknown. Our objectives were to evaluate the frequency of genomic alterations, clinical "actionability" of somatic variants, enrollment in mutation-targeted or other clinical trials, and outcome of molecular profiling for advanced solid tumor patients at the Princess Margaret Cancer Centre (PM). METHODS: Patients with advanced solid tumors aged ≥18 years, good performance status, and archival tumor tissue available were prospectively consented...
October 25, 2016: Genome Medicine
Alexander Pfeil, Laura Krojniak, Diane M Renz, Lisa Reinhardt, Marcus Franz, Peter Oelzner, Gunter Wolf, Joachim Böttcher
BACKGROUND: BoneXpert (BX) is a newly developed medical device based on digital X-ray radiogrammetry to measure human cortical bone thickness. The aim of this study was to quantify cortical bone loss of the metacarpals in patients with psoriatic arthritis (PsA) and compare these findings with other radiological scoring methods. METHODS: The study includes 104 patients with verified PsA. The BX method was used to measure the Metacarpal Index (MCI) at the metacarpal bones (II-IV)...
October 25, 2016: Arthritis Research & Therapy
Oliver J Gurney-Champion, Thijs Bruins Slot, Eelco Lens, Astrid van der Horst, Remy Klaassen, Hanneke W M van Laarhoven, Geertjan van Tienhoven, Jeanin E van Hooft, Aart J Nederveen, Arjan Bel
PURPOSE: Biliary stents may cause susceptibility artifacts, gradient-induced artifacts, and radio frequency (RF) induced artifacts on magnetic resonance images, which can hinder accurate target volume delineation in radiotherapy. In this study, the authors investigated and quantified the magnitude of these artifacts for stents of different materials. METHODS: Eight biliary stents made of nitinol, platinum-cored nitinol, stainless steel, or polyethylene from seven vendors, with different lengths (57-98 mm) and diameters (3...
October 2016: Medical Physics
Yachao Zhang
A reliable prediction of magnetic properties of surface-supported molecules containing 3d/4f spin carriers has challenged the electronic structure theory for decades. Here we tackle this problem with Hubbard-U corrected van der Waals density functional (vdW-DF), incorporating strong correlation effects of the localized electrons and dispersion interactions involved in the molecule-surface binding. By fitting the spin state energetics of a series of Fe(ii) compounds with varying ligand field strength, we find that the optimal U value for vdW-DF is much smaller than that for the local density approximation (LDA) while quite similar to that for the generalized gradient approximation (GGA)...
September 28, 2016: Journal of Chemical Physics
Bao Wang, Zhixiong Zhao, Guo-Wei Wei
In this work, a systematic protocol is proposed to automatically parametrize the non-polar part of implicit solvent models with polar and non-polar components. The proposed protocol utilizes either the classical Poisson model or the Kohn-Sham density functional theory based polarizable Poisson model for modeling polar solvation free energies. Four sets of radius parameters are combined with four sets of charge force fields to arrive at a total of 16 different parametrizations for the polar component. For the non-polar component, either the standard model of surface area, molecular volume, and van der Waals interactions or a model with atomic surface areas and molecular volume is employed...
September 28, 2016: Journal of Chemical Physics
Wissam A Saidi, Joshua J Choi
Hybrid organic-inorganic perovskites, as well as the perovskites in general, are known for their phase complexity evidenced by the stabilization of different polymorphs, and thus an understanding of their regions of stability and transitions can be important for their photovoltaic and optoelectronic technologies. Here we use a multiscale approach based on first-principles calculations with van der Waals corrections and classical force-field molecular dynamics to determine the finite-temperature properties of the tetragonal and cubic phases of CH3NH3PbI3...
October 14, 2016: Journal of Chemical Physics
Jonathan M Martin, Wei Li, Kris T Delaney, Glenn H Fredrickson
We present a new molecularly informed statistical field theory model of inhomogeneous polarizable soft matter. The model is based on fluid elements, referred to as beads, that can carry a net monopole of charge at their center of mass and a fixed or induced dipole through a Drude-type distributed charge approach. The beads are thus polarizable and naturally manifest attractive van der Waals interactions. Beyond electrostatic interactions, beads can be given soft repulsions to sustain fluid phases at arbitrary densities...
October 21, 2016: Journal of Chemical Physics
Saman Alavi, Ryo Ohmura
When compressed with water or ice under high pressure and low temperature conditions, some gases form solid gas hydrate inclusion compounds which have higher melting points than ice under those pressures. In this work, we study the balance of the guest-water and water-water interaction energies that lead to the formation of the clathrate hydrate phases. In particular, molecular dynamics simulations with accurate water potentials are used to study the energetics of the formation of structure I (sI) and II (sII) clathrate hydrates of methane, ethane, and propane...
October 21, 2016: Journal of Chemical Physics
M Lahti, K Pussi, J A Smerdon, K M Young, H R Sharma, R McGrath
Surface ordering of pentacene molecules adsorbed on an aperiodic Cu surface has been studied with density functional theory (DFT) and scanning tunnelling microscopy as a function of coverage. Below 0.73 ML (5.3 × 10(13) molecules cm(-2)), the adsorbate structure is row-like with the molecular axes aligned with the rows in the Cu structure. Between this coverage and 1 ML (7.3 × 10(13) molecules cm(-2)), a structural phase with a checkerboard structure is seen. At this coverage region, the molecules are very close to each other which leads to unusual bending...
October 21, 2016: Journal of Chemical Physics
Ning Liu, Xiaowei Zeng, Ramana Pidaparti, Xianqiao Wang
Strength and toughness are two mechanical properties that are generally mutually exclusive but highly sought-after in the design of advanced composite materials. There has only been limited progress in achieving both high strength and toughness in composite materials. However, the fundamental underlying mechanics remain largely unexplored, especially at the nanoscale. Inspired by the lamellar structure of nacre, here a layered graphene and polyethylene nanocomposite with tunable interfacial cross-links is studied via coarse-grained molecular dynamics simulations in order to achieve both high strength and toughness...
October 26, 2016: Nanoscale
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