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https://www.readbyqxmd.com/read/28938242/clinical-data-warehouse-an-effective-tool-to-create-intelligence-in-disease-management
#1
Mahtab Karami, Azin Rahimi
Clinical business intelligence tools such as clinical data warehouse enable health care organizations to objectively assess the disease management programs that affect the quality of patients' life and well-being in public. The purpose of these programs is to reduce disease occurrence, improve patient care, and decrease health care costs. Therefore, applying clinical data warehouse can be effective in generating useful information about aspects of patient care to facilitate budgeting, planning, research, process improvement, external reporting, benchmarking, and trend analysis, as well as to enable the decisions needed to prevent the progression or appearance of the illness aligning with maintaining the health of the population...
September 21, 2017: Health Care Manager
https://www.readbyqxmd.com/read/28938073/transfer-learning-from-markov-models-leads-to-efficient-sampling-of-related-systems
#2
Mohammad Muneeb Sultan, Vijay S Pande
We recently showed that the time-structure based independent component analysis method from Markov state model literature provided a set of variationally optimal slow collective variables for Metadynamics (tICA-Metadynamics). In this paper, we extend the methodology towards efficient sampling of related mutants by borrowing ideas from transfer learning methods in machine learning. Our method explicitly assumes that a similar set of slow modes and metastable states are found in both the wild type (base line) and its mutants...
September 22, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28937774/selective-non-steroidal-glucocorticoid-receptor-modulators-for-the-inhaled-treatment-of-pulmonary-diseases
#3
Martin Hemmerling, Stinabritt Nilsson, Karl Edman, Stefan Eirefelt, Wayne Russell, Ramon Hendrickx, Eskil Johnsson, Carina Kärrman-Mårdh, Markus Berger, Hartmut Rehwinkel, Anna Abrahamsson, Jan Dahm Eacute N, Anders R Eriksson, Balint Gabos, Krister Henriksson, Nafizal Hossain, Svetlana Ivanova, Anne-Helene Jansson, Tina J Jensen, Anders Jerre, Henrik Johansson, Tomas Klingstedt, Matti Lepistö, Martin Lindsjö, Irene Mile, Grigorios Nikitidis, John Steele, Ulrika Tehler, Lisa Wissler, Thomas Hansson
A class of potent, non-steroidal, selective indazole ether based glucocorticoid receptor modulators (SGRMs) was developed for the inhaled treatment of respiratory diseases. Starting from an orally available compound with demonstrated anti-inflammatory activity in rat, a soft drug strategy was implemented to ensure rapid elimination of drug candidates and minimize systemic GR activation. The first clinical candidate 1b (AZD5423) displayed potent inhibition of lung edema in a rat model of allergic airway inflammation following dry powder inhalation combined with a moderate systemic GR-effect, assessed as thymic involution...
September 22, 2017: Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28937173/adsorption-of-molecular-hydrogen-on-coronene-with-a-new-potential-energy-surface
#4
Massimiliano Bartolomei, Ricardo Pérez de Tudela, Kilian Arteaga, Tomás González-Lezana, Marta I Hernández, José Campos-Martínez, Pablo Villarreal, Javier Hernández-Rojas, José Bretón, Fernando Pirani
Benchmark interaction energies between coronene, C24H12, and molecular hydrogen, H2, have been computed by means of high level electronic structure calculations. Binding energies, equilibrium distances and strengths of the long range attraction, evaluated for the basic configurations of the H2-C24H12 complex, indicate that the system is not too affected by the relative orientations of the diatom, suggesting that its behavior can be approximated to that of a pseudoatom. The obtained energy profiles have confirmed the noncovalent nature of the bonding and serve to tune-up the parameters of a new force field based on the atom-bond approach which correctly describes the main features of the H2-coronene interaction...
September 22, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28937161/cold-sprayed-wo3-and-tio2-electrodes-for-photoelectrochemical-water-and-methanol-oxidation-in-renewable-energy-applications
#5
Christoph Haisch, Jenny Schneider, Manuel Fleisch, Henning Gutzmann, Thomas Klassen, Detlef W Bahnemann
Films prepared by cold spray have potential applications as photoanodes in electrochemical water splitting and waste water purification. In the present study cold sprayed photoelectrodes produced with WO3 (active under visible light illumination) and TiO2 (active under UV illumination) on titanium metal substrates were investigated as photoanodes for the oxidation of water and methanol, respectively. Methanol was chosen as organic model pollutant in acidic electrolytes. Main advantages of the cold sprayed photoelectrodes are the improved metal-semiconductor junctions and the superior mechanical stability...
September 22, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/28936900/a-collaborative-comparison-of-objective-structured-clinical-examination-osce-standard-setting-methods-at-australian-medical-schools
#6
Bunmi Sherifat Malau-Aduli, Peta-Ann Teague, Karen D'Souza, Clare Heal, Richard Turner, David L Garne, Cees van der Vleuten
BACKGROUND: A key issue underpinning the usefulness of the OSCE assessment to medical education is standard setting, but the majority of standard-setting methods remain challenging for performance assessment because they produce varying passing marks. Several studies have compared standard-setting methods; however, most of these studies are limited by their experimental scope, or use data on examinee performance at a single OSCE station or from a single medical school. This collaborative study between 10 Australian medical schools investigated the effect of standard-setting methods on OSCE cut scores and failure rates...
September 22, 2017: Medical Teacher
https://www.readbyqxmd.com/read/28936627/the-accuracy-of-emergency-weight-estimation-systems-in-children-a-systematic-review-and-meta-analysis
#7
REVIEW
Mike Wells, Lara Nicole Goldstein, Alison Bentley
The safe and effective administration of fluids and medications during the management of medical emergencies in children depends on an appropriately determined dose, based on body weight. Weight can often not be measured in these circumstances and a convenient, quick and accurate method of weight estimation is required. Most methods in current use are not accurate enough, but the newer length-based, habitus-modified (two-dimensional) systems have shown significantly higher accuracy. This meta-analysis evaluated the accuracy of weight estimation systems in children...
September 21, 2017: International Journal of Emergency Medicine
https://www.readbyqxmd.com/read/28936534/tuneable-nature-of-metal-organic-frameworks-as-heterogeneous-solid-catalysts-for-alcohol-oxidation
#8
Amarajothi Dhakshinamoorthy, Abdullah M Asiri, Hermenegildo Garcia
Selective benzyl alcohol oxidation (BA) to benzaldehyde has been frequently used as a benchmark reaction to evaluate the catalytic activity of metal organic frameworks (MOFs) as oxidation catalysts. Substituted BAs, and aliphatic and allylic alcohols have also been often used as substrates in these studies. In the present review, the current state of the art of MOFs as heterogeneous catalysts for the oxidation of BA and other alcohols is described, grouping the reports according to the nature of the active sites present on the MOFs...
September 22, 2017: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/28935802/angular-momentum-induced-delays-in-solid-state-photoemission-enhanced-by-intra-atomic-interactions
#9
Fabian Siek, Sergej Neb, Peter Bartz, Matthias Hensen, Christian Strüber, Sebastian Fiechter, Miquel Torrent-Sucarrat, Vyacheslav M Silkin, Eugene E Krasovskii, Nikolay M Kabachnik, Stephan Fritzsche, Ricardo Díez Muiño, Pedro M Echenique, Andrey K Kazansky, Norbert Müller, Walter Pfeiffer, Ulrich Heinzmann
Attosecond time-resolved photoemission spectroscopy reveals that photoemission from solids is not yet fully understood. The relative emission delays between four photoemission channels measured for the van der Waals crystal tungsten diselenide (WSe2) can only be explained by accounting for both propagation and intra-atomic delays. The intra-atomic delay depends on the angular momentum of the initial localized state and is determined by intra-atomic interactions. For the studied case of WSe2, the photoemission events are time ordered with rising initial-state angular momentum...
September 22, 2017: Science
https://www.readbyqxmd.com/read/28934964/comprehensive-benchmarking-and-ensemble-approaches-for-metagenomic-classifiers
#10
Alexa B R McIntyre, Rachid Ounit, Ebrahim Afshinnekoo, Robert J Prill, Elizabeth Hénaff, Noah Alexander, Samuel S Minot, David Danko, Jonathan Foox, Sofia Ahsanuddin, Scott Tighe, Nur A Hasan, Poorani Subramanian, Kelly Moffat, Shawn Levy, Stefano Lonardi, Nick Greenfield, Rita R Colwell, Gail L Rosen, Christopher E Mason
BACKGROUND: One of the main challenges in metagenomics is the identification of microorganisms in clinical and environmental samples. While an extensive and heterogeneous set of computational tools is available to classify microorganisms using whole-genome shotgun sequencing data, comprehensive comparisons of these methods are limited. RESULTS: In this study, we use the largest-to-date set of laboratory-generated and simulated controls across 846 species to evaluate the performance of 11 metagenomic classifiers...
September 21, 2017: Genome Biology
https://www.readbyqxmd.com/read/28934641/graph-construction-using-adaptive-local-hybrid-coding-scheme
#11
Fadi Dornaika, Mahdi Tavassoli Kejani, Alireza Bosaghzadeh
It is well known that dense coding with local bases (via Least Square coding schemes) can lead to large quantization errors or poor performances of machine learning tasks. On the other hand, sparse coding focuses on accurate representation without taking into account data locality due to its tendency to ignore the intrinsic structure hidden among the data. Local Hybrid Coding (LHC) (Xiang et al., 2014) was recently proposed as an alternative to the sparse coding scheme that is used in Sparse Representation Classifier (SRC)...
August 24, 2017: Neural Networks: the Official Journal of the International Neural Network Society
https://www.readbyqxmd.com/read/28934608/chemical-free-fabrication-of-n-p-dual-doped-honeycomb-like-carbon-as-an-efficient-electrocatalyst-for-oxygen-reduction
#12
Lianwen Zhu, Jun Wu, Qiao Zhang, Xiangkui Li, Yiming Li, Xuebo Cao
Heteroatom-doped nanoporous carbons are now emerging as alternatives to platinum and its alloys as electrocatalysts to facilitate oxygen reduction reaction in metal-air batteries and fuel cells. However, the synthesis of nanoporous carbons usually involve in complicated procedures and intensive chemicals, which may dramatically raise their manufacture cost that even surpasses that of precious platinum. Herein, we demonstrate the single-step, chemical-free fabrication of N, P dualdoped honeycomb carbon that has hierarchically porous structure and oxygen electrocatalysis activity close to the benchmark Pt/C...
August 23, 2017: Journal of Colloid and Interface Science
https://www.readbyqxmd.com/read/28934488/de-novo-pathway-based-biomarker-identification
#13
Nicolas Alcaraz, Markus List, Richa Batra, Fabio Vandin, Henrik J Ditzel, Jan Baumbach
Gene expression profiles have been extensively discussed as an aid to guide the therapy by predicting disease outcome for the patients suffering from complex diseases, such as cancer. However, prediction models built upon single-gene (SG) features show poor stability and performance on independent datasets. Attempts to mitigate these drawbacks have led to the development of network-based approaches that integrate pathway information to produce meta-gene (MG) features. Also, MG approaches have only dealt with the two-class problem of good versus poor outcome prediction...
September 19, 2017: Nucleic Acids Research
https://www.readbyqxmd.com/read/28934487/supernalign-a-new-tool-for-flexible-superposition-of-homologous-rna-structures-and-inference-of-accurate-structure-based-sequence-alignments
#14
Pawel Piatkowski, Jagoda Jablonska, Adriana Zyla, Dorota Niedzialek, Dorota Matelska, Elzbieta Jankowska, Tomasz Walen, Wayne K Dawson, Janusz M Bujnicki
RNA has been found to play an ever-increasing role in a variety of biological processes. The function of most non-coding RNA molecules depends on their structure. Comparing and classifying macromolecular 3D structures is of crucial importance for structure-based function inference and it is used in the characterization of functional motifs and in structure prediction by comparative modeling. However, compared to the numerous methods for protein structure superposition, there are few tools dedicated to the superimposing of RNA 3D structures...
September 19, 2017: Nucleic Acids Research
https://www.readbyqxmd.com/read/28934431/genetic-profiling-and-comorbidities-of-zika-infection
#15
Mohammad Ali Moni, Pietro Lio'
Background: The difficulty in distinguishing infection by Zika virus (ZIKV) from other flaviviruses is a global health concern, particularly given the high risk of neurologic complications (including Guillain-Barré syndrome [GBS]) with ZIKV infection. Methods: We developed quantitative frameworks to compare and explore infectome, diseasome, and comorbidity of ZIKV infections. We analyzed gene expression microarray and RNA-Seq data from ZIKV, West Nile fever (WNF), chikungunya, dengue, yellow fever, Japanese encephalitis virus, GBS, and control datasets...
September 15, 2017: Journal of Infectious Diseases
https://www.readbyqxmd.com/read/28934244/multiple-cayley-klein-metric-learning
#16
Yanhong Bi, Bin Fan, Fuchao Wu
As a specific kind of non-Euclidean metric lies in projective space, Cayley-Klein metric has been recently introduced in metric learning to deal with the complex data distributions in computer vision tasks. In this paper, we extend the original Cayley-Klein metric to the multiple Cayley-Klein metric, which is defined as a linear combination of several Cayley-Klein metrics. Since Cayley-Klein is a kind of non-linear metric, its combination could model the data space better, thus lead to an improved performance...
2017: PloS One
https://www.readbyqxmd.com/read/28934096/children-s-lead-exposure-a-multimedia-modeling-analysis-to-guide-public-health-decision-making
#17
Valerie Zartarian, Jianping Xue, Rogelio Tornero-Velez, James Brown
BACKGROUND: Drinking water and other sources for lead are the subject of public health concerns around the Flint, Michigan, drinking water and East Chicago, Indiana, lead in soil crises. In 2015, the U.S. Environmental Protection Agency (EPA)'s National Drinking Water Advisory Council (NDWAC) recommended establishment of a "health-based, household action level" for lead in drinking water based on children's exposure. OBJECTIVES: The primary objective was to develop a coupled exposure-dose modeling approach that can be used to determine what drinking water lead concentrations keep children's blood lead levels (BLLs) below specified values, considering exposures from water, soil, dust, food, and air...
September 12, 2017: Environmental Health Perspectives
https://www.readbyqxmd.com/read/28933835/light-induced-spin-state-switching-and-relaxation-in-spin-pairs-of-copper-ii-nitroxide-based-molecular-magnets
#18
Sergey V Tumanov, Sergey L Veber, Svyatoslav E Tolstikov, Natalia A Artiukhova, Galina V Romanenko, Victor I Ovcharenko, Matvey V Fedin
Similar to spin-crossover (SCO) compounds, spin states of copper(II)-nitroxide based molecular magnets can be switched by various external stimuli including temperature and light. Although photoswitching and reverse relaxation of nitroxide-copper(II)-nitroxide triads were investigated in some detail, similar study for copper(II)-nitroxide spin pairs was still missing. In this work we address photoswitching and relaxation phenomena in exchange-coupled spin pairs of this family of molecular magnets. Using electron paramagnetic resonance (EPR) spectroscopy with photoexcitation, we demonstrate that compared to triad-containing compounds the photoinduced weakly coupled spin (WS) states of copper(II)-nitroxide pairs are remarkably more stable at cryogenic temperatures and relax to the ground strongly coupled spin (SS) states on the scale of days...
September 21, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28933551/kinetic-benchmarking-reveals-the-competence-of-prenyl-groups-in-ring-closing-metathesis
#19
Karim A Bahou, D Christopher Braddock, Adam G Meyer, G Paul Savage
A series of prenyl-containing malonates are kinetically benchmarked against the standard allyl-containing congeners using a ruthenium benzylidene precatalyst for ring-closing metatheses. The prenyl grouping is found to be a superior acceptor olefin compared to an allyl group in RCM processes with ruthenium alkylidenes derived from terminal alkenes. The prenyl group is also found to be a highly competent acceptor for a ruthenium alkylidene derived from a 1,1-disubstituted olefin in a RCM process.
September 21, 2017: Organic Letters
https://www.readbyqxmd.com/read/28932237/a-new-hybrid-model-fpa-svm-considering-cointegration-for-particular-matter-concentration-forecasting-a-case-study-of-kunming-and-yuxi-china
#20
Weide Li, Demeng Kong, Jinran Wu
Air pollution in China is becoming more serious especially for the particular matter (PM) because of rapid economic growth and fast expansion of urbanization. To solve the growing environment problems, daily PM2.5 and PM10 concentration data form January 1, 2015, to August 23, 2016, in Kunming and Yuxi (two important cities in Yunnan Province, China) are used to present a new hybrid model CI-FPA-SVM to forecast air PM2.5 and PM10 concentration in this paper. The proposed model involves two parts. Firstly, due to its deficiency to assess the possible correlation between different variables, the cointegration theory is introduced to get the input-output relationship and then obtain the nonlinear dynamical system with support vector machine (SVM), in which the parameters c and g are optimized by flower pollination algorithm (FPA)...
2017: Computational Intelligence and Neuroscience
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