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simulation center

Lizhen Xu, Radu V Craiu, Lei Sun, Andrew D Paterson
Motivated by genetic association studies of pleiotropy, we propose a Bayesian latent variable approach to jointly study multiple outcomes. The models studied here can incorporate both continuous and binary responses, and can account for serial and cluster correlations. We consider Bayesian estimation for the model parameters, and we develop a novel MCMC algorithm that builds upon hierarchical centering and parameter expansion techniques to efficiently sample from the posterior distribution. We evaluate the proposed method via extensive simulations and demonstrate its utility with an application to aa association study of various complication outcomes related to type 1 diabetes...
2016: Journal of Computational and Graphical Statistics
Katelyn A Grayson-Sneed, Sandi W Smith, Robert C Smith
OBJECTIVE: To develop a more reliable coding method of medical interviewing focused on data-gathering and emotion-handling. METHODS: Two trained (30h) undergraduates rated videotaped interviews from 127 resident-simulated patient (SP) interactions. Trained on 45 videotapes, raters coded 25 of 127 study set tapes for patient-centeredness. Guetzkow's U, Cohen's Kappa, and percent of agreement were used to measure raters' reliability in unitizing and coding residents' skills for eliciting: agenda (3 yes/no items), physical story (2), personal story (6), emotional story (15), using indirect skills (4), and general patient-centeredness (3)...
October 11, 2016: Patient Education and Counseling
Patrick C Sanger, Vlad V Simianu, Cameron E Gaskill, Cheryl Al Armstrong, Andrea L Hartzler, Ross J Lordon, William B Lober, Heather L Evans
BACKGROUND: Postoperative surgical site infections (SSI) are common and costly. Most occur post-discharge, and may result in potentially preventable readmission and/or unnecessary urgent evaluation. Mobile health approaches incorporating patient-generated wound photos are being implemented in an attempt to optimize triage and management. We assessed how adding wound photos to existing data sources modifies provider decision-making. STUDY DESIGN: Web-based simulation survey using convenience sample of providers with expertise in surgical infections...
October 13, 2016: Journal of the American College of Surgeons
Kimberly K Gray, Susan K Grist, Deborah A Race
The development of a home care visit using a real apartment house is a unique approach to simulated learning experiences. This teaching strategy broadens the traditional simulation center approach by adding realism to the overall experience. The article explains how the use of the apartment house created a unique teaching strategy not otherwise available in traditional simulation center settings and helped junior-level nursing students understand the nuances of home care visits. On the basis of positive learning experiences, additional opportunities are being explored for using the apartment house at all clinical levels...
September 2016: Nursing Education Perspectives
Jun Hu, Yang Li, Ming Zhang, Xibei Yang, Hong-Bin Shen, Dong-Jun Yu
Protein-DNA interactions are ubiquitous in a wide variety of biological processes. Correctly locating DNA-binding residues solely from protein sequences is an important but challenging task for protein function annotations and drug discovery, especially in the post-genomic era where large volumes of protein sequences have quickly accumulated. In this study, we report a new predictor, named TargetDNA, for targeting protein-DNA binding residues from primary sequences. TargetDNA uses a protein's evolutionary information and its predicted solvent accessibility as two base features and employs a centered linear kernel alignment algorithm to learn the weights for weightedly combining the two features...
October 11, 2016: IEEE/ACM Transactions on Computational Biology and Bioinformatics
Alexey Petrushin, Lorenzo Ferrara, Axel Blau
OBJECTIVE: In light of recent progress in mapping neural function to behavior, we briefly and selectively review past and present endeavors to reveal and reconstruct nervous system function in Caenorhabditis elegans through simulation. APPROACH: Rather than presenting an all-encompassing review on the mathematical modeling of C. elegans, this contribution collects snapshots of pathfinding key works and emerging technologies that recent single- and multi-center simulation initiatives are building on...
October 14, 2016: Journal of Neural Engineering
Marat R Talipov, Jaladhi Nayak, Michael Lepley, Robert D Bongard, Daniel S Sem, Ramani Ramchandran, Rajendra Rathore
DUSP5 is an inducible nuclear dual-specificity phosphatase that specifically interacts with and deactivates extracellular signal-regulated kinases ERK1 and ERK2, which are responsible for cell proliferation, differentiation, and survival. The phosphatase domain (PD) of DUSP5 has unique structural features absent in other nuclear DUSPs, such as presence of a secondary anion-binding site in the proximity to the reaction center and a glutamic acid E264 positioned next to the catalytic cysteine C263, as well as a remote intra-molecular disulfide linkage...
October 14, 2016: Biochemistry
Go Hamasaka, Tsubasa Muto, Yoshimichi Andoh, Kazushi Fujimoto, Kenich Kato, Masaki Tanaka, Susumu Okazaki, Yasuhiro Uozumi
Wide-angle X-ray scattering experiments and all-atomistic molecular dynamics calculations were performed to elucidate the detailed structure of bilayer vesicles constructed by self-assembly of an amphiphilic palladium NCN-pincer complex. We found an excellent agreement between the experimental and calculated X-ray spectra and between the membrane thickness determined from a TEM image and that calculated from an electron-density profile, indicating that the calculated structure was highly reliable. The analysis of the simulated bilayer structure showed that the membrane was softer than other phospholipid bilayer membranes in general...
October 13, 2016: Chemistry: a European Journal
Stefan Candefjord, Johan Winges, Ahzaz Ahmad Malik, Yinan Yu, Thomas Rylander, Tomas McKelvey, Andreas Fhager, Mikael Elam, Mikael Persson
Traumatic brain injury is the leading cause of death and severe disability for young people and a major public health problem for elderly. Many patients with intracranial bleeding are treated too late, because they initially show no symptoms of severe injury and are not transported to a trauma center. There is a need for a method to detect intracranial bleedings in the prehospital setting. In this study, we investigate whether broadband microwave technology (MWT) in conjunction with a diagnostic algorithm can detect subdural hematoma (SDH)...
October 13, 2016: Medical & Biological Engineering & Computing
Sandra L Gómez, Yesid Montoya, Nora L Garcia, Ana L Virgen, Javier E Botero
The aim of this study was to compare frictional resistance among conventional, passive and active selfligating brackets using Finite Elements Analysis (FEA). Seventynine (79) slide tests were performed by combining an upper first bicuspid conventional bracket, 0.018" stainless steel wires and 0.010" ligature by means of an INSTRON 3345 load system to obtain average maximum static frictional resistance (MSFR). This value was compared to the FR (frictional resistance) obtained by simulation of a slide of the same combination by FEA following conventional bracket modeling by means of Computer Aided Design (CAD)...
September 2016: Acta Odontológica Latinoamericana: AOL
Kang Song, Xiaohong Wang, Qun Xiang, Jiaqiang Xu
Herein, we demonstrate experimentally the coexistence of photocatalytic dual opposite roles of Au nanoparticles in a UV-vis light irradiated Au/TiO2 system. We have investigated that the photocatalytic performance curves of Au/TiO2 and CdS/Au/TiO2 for degradation of methylene blue (MB) all present a V-shape with different radiation power ratios. However, through the comparison of photocatalytic activities of Au/TiO2 and CdS/Au/TiO2 by statistics and mathematical simulation, we propose qualitatively that the deposition of CdS used as a photosensitizer could extend the Au/TiO2 light absorption range and weaken the negative effect of Au/TiO2...
October 12, 2016: Physical Chemistry Chemical Physics: PCCP
Hieyong Jeong, Kenji Yamada, Michiko Kido, Shima Okada, Taishin Nomura, Yuko Ohno
Although numerous studies have analyzed the relationship between manual material handling (MMH) and the forces acting on the lumbar spine, the difference in the MMH between experts and novices through the analysis of measured data has not been well studied. The purpose of this paper was to analyze the difference in the MMH positions between ten skilled experts working at a freight transport company (Group 1) and five unskilled novices without any experience (Group 2) during asymmetric lifting. All the human subjects performed asymmetric lifting experiments with closed eyes; the experiments involved moving loads (6 and 18 kg) to the left side...
2016: IEEE Journal of Translational Engineering in Health and Medicine
Georg Kastlunger, Robert Stadler
ABSTRACT: The paper provides a comprehensive theoretical description of electron transport through transition metal complexes in single molecule junctions, where the main focus is on an analysis of the structural parameters responsible for bias-induced conductance switching as found in recent experiments, where an interpretation was provided by our simulations. The switching could be theoretically explained by a two-channel model combining coherent electron transport and electron hopping, where the underlying mechanism could be identified as a charging of the molecule in the junction made possible by the presence of a localized electronic state on the transition metal center...
2016: Monatshefte Für Chemie
Shin Nakamura, Takumi Noguchi
During photosynthesis, the light-driven oxidation of water performed by photosystem II (PSII) provides electrons necessary to fix CO2, in turn supporting life on Earth by liberating molecular oxygen. Recent high-resolution X-ray images of PSII show that the water-oxidizing center (WOC) is composed of an Mn4CaO5 cluster with six carboxylate, one imidazole, and four water ligands. FTIR difference spectroscopy has shown significant structural changes of the WOC during the S-state cycle of water oxidation, especially within carboxylate groups...
October 11, 2016: Proceedings of the National Academy of Sciences of the United States of America
Célia V Romão, João B Vicente, Patrícia T Borges, Bruno L Victor, Pedro Lamosa, Elisio Silva, Luís Pereira, Tiago M Bandeiras, Cláudio M Soares, Maria A Carrondo, David Turner, Miguel Teixeira, Carlos Frazão
Flavodiiron proteins (FDPs) are present in organisms from all domains of life and have been described so far to be involved in the detoxification of oxygen or nitric oxide, acting as O2 and/or NO reductases. The Escherichia coli FDP, named flavorubredoxin (FlRd) is the most extensively studied FDP. Biochemical and in vivo studies revealed that FlRd is involved in NO detoxification, as part of the bacterial defense mechanisms against reactive nitrogen species. E. coli FlRd has a clear preference for NO as substrate in vitro, exhibiting a very low reactivity towards O2...
October 7, 2016: Journal of Molecular Biology
Ericka Sanner-Stiehr
Lateral violence among nurses persists as a pervasive problem in health care, contributing to detrimental individual and organizational consequences. Nurse educators can prepare students to respond effectively to lateral violence before they graduate and enter the workplace, where it is likely to be encountered. Simulation provides an effective platform for delivering this type of student-centered education. This article presents step-by-step guidelines for educators to integrate lateral violence response training into simulations in prelicensure nursing education...
October 5, 2016: Nurse Educator
Martin Civiš, Martin Ferus, Antonín Knížek, Petr Kubelík, Michal Kamas, Patrik Španěl, Ksenia Dryahina, Violetta Shestivska, Libor Juha, Petr Skřehot, Vojtěch Laitl, Svatopluk Civiš
Large-scale plasma was created in gas mixtures containing methane using high-power laser-induced dielectric breakdown (LIDB). The composition of the mixtures corresponded to a cometary and/or meteoritic impact into the early atmosphere of either Titan or Earth. A multiple-centimeter-sized fireball was created by focusing a single 100 J, 450 ps near-infrared laser pulse into the center of a 15 L gas cell. The excited reaction intermediates formed during the various stages of the LIDB plasma chemical evolution were investigated using optical emission spectroscopy (OES) with temporal resolution...
October 5, 2016: Physical Chemistry Chemical Physics: PCCP
Emre Bukusoglu, Xiaoguang Wang, Ye Zhou, José A Martínez-González, Mohammad Rahimi, Qi Wang, Juan J de Pablo, Nicholas L Abbott
We report on the internal configurations of aqueous dispersions of droplets of cholesteric liquid crystals (LCs; 5-50 μm-in-diameter; comprised of 4-cyano-4'-pentylbiphenyl and 4-(1-methylheptyloxycarbonyl)phenyl-4-hexyloxybenzoate) and their influence on the positioning of surface-adsorbed colloids (0.2 or 1 μm-in-diameter polystyrene (PS)). When N = 2D/P was less than 4, where D is the droplet diameter and P is the cholesteric pitch, the droplets adopted a twisted bipolar structure (TBS) and colloids were observed to assume positions at either the poles or equator of the droplets...
October 5, 2016: Soft Matter
Francesca Biscaglia, Elisa Frezza, Enrico Zurlo, Marina Gobbo
The solvent-promoted aggregation of porphyrins covalently linked to medium length peptides occurs with the formation of chiral supramolecular structures if the peptide chain can adopt an α-helical secondary structure. The circular dichroism spectra of different porphyrin-peptide conjugates show that the chiral arrangement of the porphyrins in the aggregates does not depend on the screw-sense of the peptide helix. Experimental evidence and molecular dynamic simulations suggest that the linker between the porphyrin and the peptide helix is responsible for the overall chirality of supramolecular structures...
October 12, 2016: Organic & Biomolecular Chemistry
Rui Pang, Meng Chen, Zhikun Liang, Xiangzhao Yue, Hu Ge, Wenqing Zhang
The cytochrome P450 CYP6ER1 has been reported to play an important role in imidacloprid resistance of the brown planthopper (BPH), Nilaparvata lugens, and is overexpressed in most resistant populations. In the present study, we confirmed that CYP6ER1 expression can be induced by certain levels of imidacloprid. Developmental expression analysis revealed that CYP6ER1 was expressed highly in the adult stage, and tissue distribution analysis showed that CYP6ER1 was expressed mainly in the fat body and midgut. RNA interference (RNAi) of CYP6ER1 and transgenic expression of CYP6ER1 in Drosophila melanogaster both suggested that the expression of CYP6ER1 is sufficient to confer imidacloprid resistance...
October 10, 2016: Scientific Reports
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