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Refinement validation structure

Silvia Salerno, Aída Nelly García-Argáez, Elisabetta Barresi, Sabrina Taliani, Francesca Simorini, Concettina La Motta, Giorgio Amendola, Stefano Tomassi, Sandro Cosconati, Ettore Novellino, Federico Da Settimo, Anna Maria Marini, Lisa Dalla Via
Inhibition of angiogenesis via blocking vascular endothelial growth factor receptor (VEGFR) signaling pathway emerged as an established approach in anticancer therapy. So far, many monoclonal antibodies and ATP-competitive small molecule inhibitors have been clinically validated and approved. In this study, structure-activity relationships (SAR) within the 2-phenylamino-substituted benzothiopyrano[4,3-d]pyrimidine class of kinase inhibitors were further refined by the synthesis and biological evaluation of new compounds 1-21 featuring different substitution patterns on the pendant phenyl moiety, combined with H, OCH3 , or Cl at 8-position...
March 7, 2018: European Journal of Medicinal Chemistry
Aruna Narula, Rajan Kumar Pandey, Nazia Khatoon, Amit Mishra, Vijay Kumar Prajapati
Chikungunya infection has been a cause of countless deaths worldwide. Due to lack of permanent treatment and prevention of this disease, the mortality rate remains very high. Therefore, we followed an immunoinformatics approach for the development of multi-epitope subunit vaccine which is able to elucidate humoral, cell-mediated and innate immune responses inside the host body. Both structural and non-structural proteins of chikungunya virus were utilized for prediction of B-cell and T-cell binding epitopes along with interferon-γ (IFN-γ) inducing epitopes...
March 10, 2018: Infection, Genetics and Evolution
Jane S Richardson, Christopher J Williams, Bradley J Hintze, Vincent B Chen, Michael G Prisant, Lizbeth L Videau, David C Richardson
Traditionally, validation was considered to be a final gatekeeping function, but refinement is smoother and results are better if model validation actively guides corrections throughout structure solution. This shifts emphasis from global to local measures: primarily geometry, conformations and sterics. A fit into the wrong local minimum conformation usually produces outliers in multiple measures. Moving to the right local minimum should be prioritized, rather than small shifts across arbitrary borderlines...
February 1, 2018: Acta Crystallographica. Section D, Structural Biology
Jonathan D Leipoldt, Nanna S Kayed, Annemiek T Harder, Hans Grietens, Tormod Rimehaug
Background: Previous studies have shown that social climate in therapeutic residential youth care (TRC) is important to the welfare of residents, staff, and assessing treatment outcomes. The most influential theory on social climate in residential settings is the theory of Moos. The measurement of the concepts and aspects of this theory using the Community Oriented Programs Environment Scale (COPES) has repeatedly been criticized regarding usability, validity, and reliability, especially for TRC...
2018: Child & Youth Care Forum
Mansi Desai, J B Chauhan
Methylenetetrahydrofolate reductase (MTHFR) is a key enzyme involved in folate metabolism and plays a central role in DNA methylation and biosynthesis. MTHFR mutations may alter the cellular folate supply which in turn affects nucleic acid synthesis, DNA methylation and chromosomal damage. The identification of number of SNPs in the human genome growing nowadays and hence, the evaluation of functional & structural consequences of these SNPs is very laborious by means of experimental analysis. Therefore, in the present study, recently developed various computational algorithms have been used which can predict the functional and structural consequences of the SNPs...
February 27, 2018: Computational Biology and Chemistry
Carole Orchard, Linda L Pederson, Emily Read, Cornelia Mahler, Heather Laschinger
INTRODUCTION: The need to be able to assess collaborative practice in health care teams has been recognized in response to the direction for team-based care in a number of policy documents. The purpose of this study is to report on further refinement of such a measurement instrument, the Assessment of Interprofessional Team Collaboration Scale (AITCS) first published in 2012. To support this refinement, two objectives were set: Objective 1: to determine whether the items from the data collected in 2016 load on the same factors as found for the 2012 version of the 37-item AITCS...
January 2018: Journal of Continuing Education in the Health Professions
Céleste A Reiss, Jan B van Mechelen, Kees Goubitz, René Peschar
Paracetamol [N-(4-hydroxyphenyl)acetamide, C8 H9 NO2 ] has several polymorphs, just like many other drugs. The most stable polymorphs, denoted Forms I and II, can be obtained easily and their crystal structures are known. Crystals of the orthorhombic, less stable, room-temperature Form III are difficult to grow; they need a special recipe to crystallize and suffer from severe preferred orientation. A crystal structure model of Form III has been proposed and solved from a combination of structure prediction and powder X-ray diffraction (PXRD) [Perrin et al...
March 1, 2018: Acta Crystallographica. Section C, Structural Chemistry
Kim S Betts, James Scott, Gail M Williams, Jacob M Najman, Rosa Alati
BACKGROUND: Previous studies have examined the distribution of psychotic like experiences (PLE) with the aim of informing the debate concerning the categorical versus continuous nature of psychosis. We extend this research by subjecting a number of competing models of delusional ideation to validation analysis to further examine previous findings. METHODS: We constructed latent variable models representing the factor structure of delusional ideation reported previously, using self-reported delusional ideation (Peter's Delusional Inventory; PDI) at age 21 in a general population prospective birth cohort study...
February 27, 2018: Schizophrenia Research
Jeanine Ammann, Christina Hartmann, Michael Siegrist
The present set of studies developed and tested the Food Disgust Picture Scale (FDPS). This is a tool for the assessment of food disgust sensitivity that will measure disgust and predict possible reactions. This eight-picture tool can be used in complement to or as a replacement for currently available text-based measures. In an exploratory Study 1 (N = 57), we constructed a scale consisting of eight pictures. Most of them were taken from validated picture databases. They proved powerful in the assessment of food disgust sensitivity...
February 26, 2018: Appetite
Xuhua Ren, Lei Xiang, Dong Nie, Yeqin Shao, Huan Zhang, Dinggang Shen, Qian Wang
PURPOSE: Accurate 3D image segmentation is a crucial step in radiation therapy planning of head and neck tumors. These segmentation results are currently obtained by manual outlining of tissues, which is a tedious and time-consuming procedure. Automatic segmentation provides an alternative solution, which, however, is often difficult for small tissues (i.e., chiasm and optic nerves in head and neck CT images) because of their small volumes and highly diverse appearance/shape information...
February 26, 2018: Medical Physics
K K Davison, C E Blake, A Kachurak, J C Lumeng, D L Coffman, A L Miller, S O Hughes, T G Power, A F Vaughn, R E Blaine, N Younginer, J O Fisher
Snacking makes significant contributions to children's dietary intake but is poorly understood from a parenting perspective. This research was designed to develop and evaluate the psychometrics of a theoretically grounded, empirically-informed measure of snack parenting. The Parenting around SNAcking Questionnaire (P-SNAQ) was developed using a conceptual model derived from current theory and mixed-methods research to include 20 hypothesized snack parenting practices along 4 parenting dimensions (autonomy support, structure, coercive control and permissiveness)...
February 20, 2018: Appetite
Fania R Gärtner, Hanna Bomhof-Roordink, Ian P Smith, Isabelle Scholl, Anne M Stiggelbout, Arwen H Pieterse
OBJECTIVE: To inventory instruments assessing the process of shared decision making and appraise their measurement quality, taking into account the methodological quality of their validation studies. METHODS: In a systematic review we searched seven databases (PubMed, Embase, Emcare, Cochrane, PsycINFO, Web of Science, Academic Search Premier) for studies investigating instruments measuring the process of shared decision making. Per identified instrument, we assessed the level of evidence separately for 10 measurement properties following a three-step procedure: 1) appraisal of the methodological quality using the COnsensus-based Standards for the selection of health status Measurement INstruments (COSMIN) checklist, 2) appraisal of the psychometric quality of the measurement property using three possible quality scores, 3) best-evidence synthesis based on the number of studies, their methodological and psychometrical quality, and the direction and consistency of the results...
2018: PloS One
Guillaume Boivin, Martin Viens, Pierre Belanger
Structural health monitoring is a prominent alternative to the scheduled maintenance of safety-critical components. The nondispersive nature as well as the through-thickness mode shape of the fundamental shear horizontal guided wave mode (SH 0 ) make it a particularly attractive candidate for ultrasonic guided wave structural health monitoring. However, plane wave excitation of SH 0 at a high level of purity remains challenging because of the existence of the fundamental Lamb modes (A 0 and S 0 ) below the cutoff frequency thickness product of high-order modes...
February 10, 2018: Sensors
N K Francis, N J Curtis, J A Conti, J D Foster, H J Bonjer, G B Hanna
BACKGROUND: Surgical outcomes are traditionally evaluated by post-operative data such as histopathology and morbidity. Although these outcomes are reported using accepted systems, their ability to influence operative performance is limited by their retrospective application. Interest in direct measurement of intraoperative events is growing but no available systems applicable to routine practice exist. We aimed to develop a structured, practical method to report intraoperative adverse events enacted during minimal access surgical procedures...
February 12, 2018: Surgical Endoscopy
Mona L Martin, Steven I Blum, Hiltrud Liedgens, Donald M Bushnell, Kelly P McCarrier, Noël V Hatley, Abhilasha Ramasamy, Rainer Freynhagen, Mark Wallace, Charles Argoff, Mariёlle Eerdekens, Maurits Kok, Donald L Patrick
We describe the mixed-methods (qualitative and quantitative) development and preliminary validation of the Patient Assessment for Low Back Pain - Symptoms (PAL-S), a patient-reported outcome measure for use in chronic low back pain (cLBP) clinical trials. Qualitative methods (concept elicitation, cognitive interviews) were used to identify and refine symptom concepts and quantitative methods (Classical test theory, Rasch measurement theory) were used to evaluate item- and scale-level performance of the measure using an iterative approach...
February 7, 2018: Pain
Jesse Bonwitt, Michael Dawson, Martin Kandeh, Rashid Ansumana, Foday Sahr, Hannah Brown, Ann H Kelly
Following the 2013-2016 outbreak of Ebola virus disease (EVD) in West Africa, governments across the region imposed a ban on the hunting and consumption of meat from wild animals. This injunction was accompanied by public health messages emphasising the infectious potential of wild meat, or 'bushmeat.' Using qualitative methods, we examine the local reception and impact of these interventions. Fieldwork was focused in 9 villages in the Eastern and Southern provinces of Sierra Leone between August and December 2015...
January 31, 2018: Social Science & Medicine
Stuart McTaggart, Clifford Nangle, Jacqueline Caldwell, Samantha Alvarez-Madrazo, Helen Colhoun, Marion Bennie
Background: Efficient generation of structured dose instructions that enable researchers to calculate drug exposure is central to pharmacoepidemiology studies. Our aim was to design and test an algorithm to codify dose instructions, applied to the NHS Scotland Prescribing Information System (PIS) that records about 100 million prescriptions per annum. Methods: A natural language processing (NLP) algorithm was developed that enabled free-text dose instructions to be represented by three attributes - quantity, frequency and qualifier - specified by three, three and two variables, respectively...
February 6, 2018: International Journal of Epidemiology
Hugo Paquin, Ilana Bank, Meredith Young, Lily H P Nguyen, Rachel Fisher, Peter Nugus
Purpose Complex clinical situations, involving multiple medical specialists, create potential for tension or lack of clarity over leadership roles and may result in miscommunication, errors and poor patient outcomes. Even though copresence has been shown to overcome some differences among team members, the coordination literature provides little guidance on the relationship between coordination and leadership in highly specialized health settings. The purpose of this paper is to determine how different specialties involved in critical medical situations perceive the role of a leader and its contribution to effective crisis management, to better define leadership and improve interdisciplinary leadership and education...
February 5, 2018: Leadership in Health Services
Vishvanath Tiwari, Monalisa Tiwari, Deepika Biswas
Acinetobacter baumannii is one of the ESKAPE pathogen, which causes pneumonia, urinary tract infections, and is linked to high degree of morbidity and mortality. One-way antibiotic and disinfectant resistance is acquired by the activation of RecA-mediated DNA repair (SOS-response) that maintain ROS-dependent DNA damage caused by these anti-bacterial molecules. To increase the efficacy of different anti-microbial, there is a need to design an inhibitor against RecA of A. baumannii. We have performed homology modeling to generate the structure of RecA, followed by model refinement and validation...
February 6, 2018: Journal of Antibiotics
Corina Naughton, Chloe Beard, Vasiliki Tzouvara, Anne Pegram, Rebecca Verity, Rhiannon Eley, David Hingley
BACKGROUND: People living with dementia experience progressive difficulty in expressing physical and emotional needs. Health care staff including student nurses require training to develop compensatory communication strategies. However, there is no standardised foundation level dementia communication training within pre-registration curricula. AIM: This article describes the theoretical underpinnings and development of a foundation level dementia communication skills training based on the VERA (Validation, Emotion, Reassurance, Activity) framework...
January 31, 2018: Nurse Education Today
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