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Refinement validation structure

S Shahbazi Sighaldeh, A Baheiraei, A Ebadi, I Khaki, R Kelishadi, R Majdzadeh
The aims of this study were to design the Hookah Smoking Initiation for Women Questionnaire (HIWQ) and determine its psychometric properties. This was a sequential exploratory mixed-methods design consisting of qualitative and quantitative phases. This study was conducted from August 2012 to July 2013 in Tehran. In the qualitative phase, semi-structured interviews were held with 36 Iranian women for developing a preliminary item pool. Consequently, during the quantitative phase, the psychometric properties of the questionnaire were determined with the collaboration of 323 women living in various geographical locations in Tehran, Iran...
January 10, 2018: Health Promotion International
Yi Shen, Hod Dana, Ahmed S Abdelfattah, Ronak Patel, Jamien Shea, Rosana S Molina, Bijal Rawal, Vladimir Rancic, Yu-Fen Chang, Lanshi Wu, Yingche Chen, Yong Qian, Matthew D Wiens, Nathan Hambleton, Klaus Ballanyi, Thomas E Hughes, Mikhail Drobizhev, Douglas S Kim, Minoru Koyama, Eric R Schreiter, Robert E Campbell
BACKGROUND: Genetically encoded calcium ion (Ca2+) indicators (GECIs) are indispensable tools for measuring Ca2+ dynamics and neuronal activities in vitro and in vivo. Red fluorescent protein (RFP)-based GECIs have inherent advantages relative to green fluorescent protein-based GECIs due to the longer wavelength light used for excitation. Longer wavelength light is associated with decreased phototoxicity and deeper penetration through tissue. Red GECI can also enable multicolor visualization with blue- or cyan-excitable fluorophores...
January 16, 2018: BMC Biology
Teri Evans, Andrew D Johnson, Matthew Loose
Large repeat rich genomes present challenges for assembly using short read technologies. The 32 Gb axolotl genome is estimated to contain ~19 Gb of repetitive DNA making an assembly from short reads alone effectively impossible. Indeed, this model species has been sequenced to 20× coverage but the reads could not be conventionally assembled. Using an alternative strategy, we have assembled subsets of these reads into scaffolds describing over 19,000 gene models. We call this method Virtual Genome Walking as it locally assembles whole genome reads based on a reference transcriptome, identifying exons and iteratively extending them into surrounding genomic sequence...
January 12, 2018: Scientific Reports
W S Andriuzzi, B J Adams, J E Barrett, R A Virginia, D H Wall
Long-term observations of ecological communities are necessary for generating and testing predictions of ecosystem responses to climate change. We investigated temporal trends and spatial patterns of soil fauna along similar environmental gradients in three sites of the McMurdo Dry Valleys, Antarctica, spanning two distinct climatic phases: a decadal cooling trend from the early 1990s through the austral summer of February 2001, followed by a shift to the current trend of warming summers and more frequent discrete warming events...
January 5, 2018: Ecology
Claudia Unikel Santoncini, Ietza Bojorquez Chapela, Concepción Díaz de León Vázquez, Verónica Vázquez Velázquez, José Alberto Rivera Márquez, Griselda Galván Sánchez, Ingrid Rocha Velis
BACKGROUND: Efficient assessment of eating disorders (ED) is indispensable for research and clinical practice in Mexico. One of the most commonly used questionnaires, the EDE-Q, has a self-applicable questionnaire format with 28 questions and four subscales drawn from the Eating Disorder Examination (EDE), a semistructured interview developed to evaluate the specific symptomatology of eating disorders. OBJECTIVE: Obtain the factorial structure and construct validity of the EDE-Q questionnaire in Mexican women...
January 4, 2018: International Journal of Eating Disorders
Lisa Beccaria, Gavin Beccaria, Catherine McCosker
BACKGROUND: It is crucial that nursing students develop skills and confidence in using Evidence-Based Practice principles early in their education. This should be assessed with valid tools however, to date, few measures have been developed and applied to the student population. OBJECTIVE: To examine the structural validity of the Student Evidence-Based Practice Questionnaire (S-EBPQ), with an Australian online nursing student cohort. DESIGN: A cross-sectional study for constructing validity...
December 13, 2017: Nurse Education Today
Muhammad Umer Faroque, Sajida Noureen, Maqsood Ahmed, Muhammad Nawaz Tahir
The crystal structure of the cocrystal salt form of the antimalarial drug pyrimethamine with 2,4-dihydroxybenzoic acid in methanol [systematic name: 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 2,4-dihydroxybenzoate methanol monosolvate, C12H14ClN4+·C7H5O4-·CH3OH] has been studied using X-ray diffraction data collected at room temperature. The crystal structure was refined using the classical Independent Atom Model (IAM) and the Multipolar Atom Model by transferring electron-density parameters from the ELMAM2 database...
January 1, 2018: Acta Crystallographica. Section C, Structural Chemistry
Rachel Rodgers, Jennifer Roach, Noah Reid, Andrew Whitehead, David D Duvernell
Fishes of the New World cyprinodontiform family Fundulidae display a wide variety of tolerance to environmental conditions, making them a valuable model system for comparative, evolutionary, and environmental studies. Despite numerous attempts to resolve the phylogenetic relationships of family Fundulidae, the basal structure of the phylogeny remains unresolved. The lack of a robust and fully resolved phylogeny for family Fundulidae and its most speciose genus Fundulus is an impediment to future research. This study utilized novel RNA-sequencing data for phylogenetic inference among16 members of Fundulidae to better refine the basal nodes of the family and confront long-standing questions regarding (1) the monophyletic status of genus Fundulus, and validity of the Lucania and recently synonymized Adinia genera; (2) the relationship of the west coast endemic Fundulus parvipinnis and F...
December 28, 2017: Molecular Phylogenetics and Evolution
Nawsad Alam, Oriel Goldstein, Bing Xia, Kathryn A Porter, Dima Kozakov, Ora Schueler-Furman
Peptide-protein interactions contribute a significant fraction of the protein-protein interactome. Accurate modeling of these interactions is challenging due to the vast conformational space associated with interactions of highly flexible peptides with large receptor surfaces. To address this challenge we developed a fragment based high-resolution peptide-protein docking protocol. By streamlining the Rosetta fragment picker for accurate peptide fragment ensemble generation, the PIPER docking algorithm for exhaustive fragment-receptor rigid-body docking and Rosetta FlexPepDock for flexible full-atom refinement of PIPER docked models, we successfully addressed the challenge of accurate and efficient global peptide-protein docking at high-resolution with remarkable accuracy, as validated on a small but representative set of peptide-protein complex structures well resolved by X-ray crystallography...
December 27, 2017: PLoS Computational Biology
Wayne M Getz, Charles R Marshall, Colin J Carlson, Luca Giuggioli, Sadie J Ryan, Stephanie S Romañach, Carl Boettiger, Samuel D Chamberlain, Laurel Larsen, Paolo D'Odorico, David O'Sullivan
Critical evaluation of the adequacy of ecological models is urgently needed to enhance their utility in developing theory and enabling environmental managers and policymakers to make informed decisions. Poorly supported management can have detrimental, costly or irreversible impacts on the environment and society. Here, we examine common issues in ecological modelling and suggest criteria for improving modelling frameworks. An appropriate level of process description is crucial to constructing the best possible model, given the available data and understanding of ecological structures...
December 27, 2017: Ecology Letters
Carli Friedman
BACKGROUND: The Personal Outcome Measures® is a person-centered tool to measure the quality of life (QOL) of people with disabilities, especially those who receive long term services and supports. While the outcomes examine people's satisfaction with their lives in a wide range of areas, the organizational supports determine if service agencies are appropriately supporting people with disabilities to ensure people with disabilities have the best possible QOL. The Personal Outcome Measures® has been administered to tens of thousands of people with disabilities and older adults over its twenty-five years of existence...
December 13, 2017: Disability and Health Journal
Sk Abdul Amin, Nilanjan Adhikari, Sandip Kumar Baidya, Shovanlal Gayen, Tarun Jha
Chemokines trigger numerous inflammatory responses and modulate the immune system. The interaction between monocyte chemoattractant protein-1 (MCP-1) and chemokine receptor 2 (CCR2) may be the cause of atherosclerosis, obesity and insulin resistance. However, CCR2 is also implicated in other inflammatory diseases such as rheumatoid arthritis, multiple sclerosis, asthma and neuropathic pain. Therefore, there is a paramount importance of designing potent and selective CCR2 antagonists despite a number of drug candidates failed in clinical trials...
December 18, 2017: Journal of Biomolecular Structure & Dynamics
Jamie E M Byrne, Ben Bullock, Greg Murray
Sleep quality, circadian phase, and mood are highly interdependent processes. Remarkably, there is currently no self-report questionnaire that measures all three of these clinically significant functions: The aim of this project was to address this deficit. In Study 1, 720 participants completed a set of potential items was generated from existing questionnaires in each of the three domains and refined to follow a single presentation format. Study 2 used an independent sample (N = 498) to interrogate the latent structure...
2017: Frontiers in Psychology
Haibo Liu, Huijing Lin, Linshen Yao
By combining a fringe projection setup with a telecentric lens, a fringe pattern could be projected and imaged within a small area, making it possible to measure the three-dimensional (3D) surfaces of micro-components. This paper focuses on the flexible calibration of the fringe projection profilometry (FPP) system using a telecentric lens. An analytical telecentric projector-camera calibration model is introduced, in which the rig structure parameters remain invariant for all views, and the 3D calibration target can be located on the projector image plane with sub-pixel precision...
December 11, 2017: Optics Express
Shamala Ayadurai, V Bruce Sunderland, Lisa Bg Tee, H Laetitia Hattingh
BACKGROUND: Studies on a structured method used by pharmacists to provide comprehensive, evidence-based diabetes care are lacking. The aim of this study was to prioritise, rank and construct validate indicators categorised as seven treatment factors utilised in the management of diabetes namely: cholesterol, blood pressure and glycaemia control; medication and lifestyle management; cardiovascular risk strategies and education using the Delphi process. METHODS: A Delphi questionnaire consisted of 29 Part 1 and nine Part 2 indicators which were incorporated into a tool called Simpler™...
December 14, 2017: Current Diabetes Reviews
Nicola Magnavita, Carlo Chiorri
BACKGROUND: The availability of an assessment measure for work impairment in nurses, or nursing students, is of crucial importance for early detection of workers/students at risk. Recently, a new measure, the Nurses Work Functioning Questionnaire (NWFQ), has become available, but there is no validated Italian version. OBJECTIVES: The aim of this study was to develop and validate an Italian version of the NWFQ. METHODS: We evaluated the factor structure, the internal consistency, and the convergent and discriminant construct validity with respect to organizational justice and job strain of the Italian NWFQ using data from 645 nursing students...
December 14, 2017: La Medicina del Lavoro
Zhou Gong, Zhu Liu, Xu Dong, Yue-He Ding, Meng-Qiu Dong, Chun Tang
Chemical cross-linking coupled with mass spectroscopy (CXMS) is a powerful technique for investigating protein structures. CXMS has been mostly used to characterize the predominant structure for a protein, whereas cross-links incompatible with a unique structure of a protein or a protein complex are often discarded. We have recently shown that the so-called over-length cross-links actually contain protein dynamics information. We have thus established a method called DynaXL, which allow us to extract the information from the over-length cross-links and to visualize protein ensemble structures...
2017: Biophysics Reports
Jing Yang, Alessandro Piai, Hong-Bin Shen, James J Chou
Nuclear magnetic resonance (NMR) has been an important source of structural restraints for solving structures of oligomeric transmembrane domains (TMDs) of cell surface receptors and viral membrane proteins. In NMR studies, oligomers are assembled using inter-protomer distance restraints. But, for oligomers that are higher than dimer, these distance restraints all have two-fold directional ambiguity, and resolving such ambiguity often requires time-consuming trial-and-error calculations using restrained molecular dynamics (MD) with simulated annealing (SA)...
December 12, 2017: Scientific Reports
Min Zheng, Nigel W Moriarty, Yanting Xu, Jeffrey R Reimers, Pavel V Afonine, Mark P Waller
Accurately refining biomacromolecules using a quantum-chemical method is challenging because the cost of a quantum-chemical calculation scales approximately as nm, where n is the number of atoms and m (≥3) is based on the quantum method of choice. This fundamental problem means that quantum-chemical calculations become intractable when the size of the system requires more computational resources than are available. In the development of the software package called Q|R, this issue is referred to as Q|R#1. A divide-and-conquer approach has been developed that fragments the atomic model into small manageable pieces in order to solve Q|R#1...
December 1, 2017: Acta Crystallographica. Section D, Structural Biology
Joseph Newcombe, Anna Chatzidaki, Tom D Sheppard, Maya Topf, Neil S Millar
By combining electrophysiological and computational approaches we have examined a series of positive allosteric modulators (PAMs) acting on the human α7 nicotinic acetylcholine receptor (nAChR). Electrophysiological studies have focussed on three α7-selective PAMs (A-867744, TBS-516 and TQS) that display similar effects on wild-type α7 nAChRs. In addition to potentiating agonist-evoked responses, all three compounds reduce receptor desensitisation and, consequently, are classed as type II PAMs. Despite having similar effects on wild-type receptors, A-867744 was found to have profoundly differing effects to TBS-516 and TQS on mutated receptors, a finding that is consistent with previous studies indicating that A-867744 may have a different mechanism of action to other α7-selective type II PAMs...
December 1, 2017: Molecular Pharmacology
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