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https://www.readbyqxmd.com/read/28080051/prediction-of-bond-dissociation-energies-heat-of-formation-for-diatomic-transition-metal-compounds-ccsd-t-works
#1
Zongtang Fang, Monica Vasiliu, Kirk A Peterson, David A Dixon
It was recently reported (J. Chem. Theory Comput. 2015, 11, 2036-2052) that the coupled cluster singles and doubles with perturbative triples method, CCSD(T), should not be used as a benchmark tool for the prediction of dissociation energies (heats of formation) for the 1st row transition metal diatomics based on a comparison with the experimental thermodynamic values for a set of 20 diatomics. In the present work the bond dissociation energies as well as the heats of formation for those diatomics have been calculated by the Feller-Peterson-Dixon approach at the CCSD(T)/complete basis set (CBS) level of theory including scalar relativistic corrections and correlation of the outer shell of core electrons in addition to the valence electrons...
January 12, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28078439/liquid-based-versus-conventional-cytology-of-oral-brush-biopsies-a-split-sample-pilot-study
#2
T W Remmerbach, N Pomjanski, U Bauer, H Neumann
OBJECTIVE: The aim of this prospective split sample study was to evaluate the applicability of liquid-based cytology (LBC) of oral brush biopsies for detection of oral cancer. METHODS: Two different preparation techniques were investigated: the conventional transfer procedure to glass slides and the LBC preparation method. The obtainments of epithelial cells were performed five times with a nylon brush and transferred onto five glass slides. Additionally, the brushes, which were normally discarded, were stored in a fixative solution...
January 11, 2017: Clinical Oral Investigations
https://www.readbyqxmd.com/read/28077254/use-of-the-smartphone-for-end-vertebra-selection-in-scoliosis
#3
Murad Pepe, Onur Kocadal, Abdullah Iyigun, Zafer Gunes, Ertugrul Aksahin, Cem Nuri Aktekin
OBJECTIVES: The aim of our study was to develop a smartphone-aided end vertebra selection method and to investigate its effectiveness in Cobb angle measurement. METHODS: Twenty-nine adolescent idiopathic scoliosis patients' pre-operative posteroanterior scoliosis radiographs were used for end vertebra selection and Cobb angle measurement by standard method and smartphone-aided method. Measurements were performed by 7 examiners. The intraclass correlation coefficient was used to analyze selection and measurement reliability...
January 8, 2017: Acta Orthopaedica et Traumatologica Turcica
https://www.readbyqxmd.com/read/28077079/a-double-simex-approach-for-bivariate-random-effects-meta-analysis-of-diagnostic-accuracy-studies
#4
Annamaria Guolo
BACKGROUND: Bivariate random-effects models represent a widely accepted and recommended approach for meta-analysis of test accuracy studies. Standard likelihood methods routinely used for inference are prone to several drawbacks. Small sample size can give rise to unreliable inferential conclusions and convergence issues make the approach unappealing. This paper suggests a different methodology to address such difficulties. METHODS: A SIMEX methodology is proposed...
January 11, 2017: BMC Medical Research Methodology
https://www.readbyqxmd.com/read/28076305/analytical-and-diagnostic-performance-of-two-automated-fecal-calprotectin-immunoassays-for-detection-of-inflammatory-bowel-disease
#5
Maxime M W De Sloovere, Dieter De Smet, Filip J Baert, Johan Debrabandere, Hilde J M Vanpoucke
BACKGROUND: We evaluated the (pre-)analytical and diagnostic performance of two automated fecal calprotectin (FC) immunoassays, Liaison® Calprotectin (Diasorin) on Liaison® XL and fCAL™ turbo (Bühlmann laboratories AG) on Cobas C501 (Roche Diagnostics), and compared it with our established Bühlmann ELISA method. METHODS: Our study comprised 229 consecutive patients with clinical suspicion of inflammatory bowel disease (IBD). RESULTS: All assay related stool extraction procedures showed excellent correlation with the established method, but the new stool extraction devices tend to give higher results as compared with stool weight methods...
January 11, 2017: Clinical Chemistry and Laboratory Medicine: CCLM
https://www.readbyqxmd.com/read/28074211/safe-practices-for-copy-and-paste-in-the-ehr-systematic-review-recommendations-and-novel-model-for-health%C3%A2-it-collaboration
#6
Amy Y Tsou, Christoph U Lehmann, Jeremy Michel, Ronni Solomon, Lorraine Possanza, Tejal Gandhi
BACKGROUND: Copy and paste functionality can support efficiency during clinical documentation, but may promote inaccurate documentation with risks for patient safety. The Partnership for Health IT Patient Safety was formed to gather data, conduct analysis, educate, and disseminate safe practices for safer care using health information technology (IT). OBJECTIVE: To characterize copy and paste events in clinical care, identify safety risks, describe existing evidence, and develop implementable practice recommendations for safe reuse of information via copy and paste...
January 11, 2017: Applied Clinical Informatics
https://www.readbyqxmd.com/read/28070895/influence-analysis-for-skew-normal-semiparametric-joint-models-of-multivariate-longitudinal-and-multivariate-survival-data
#7
An-Min Tang, Nian-Sheng Tang, Hongtu Zhu
The normality assumption of measurement error is a widely used distribution in joint models of longitudinal and survival data, but it may lead to unreasonable or even misleading results when longitudinal data reveal skewness feature. This paper proposes a new joint model for multivariate longitudinal and multivariate survival data by incorporating a nonparametric function into the trajectory function and hazard function and assuming that measurement errors in longitudinal measurement models follow a skew-normal distribution...
January 9, 2017: Statistics in Medicine
https://www.readbyqxmd.com/read/28070269/musculoskeletal-diagnostic-ultrasound-imaging-for-thickness-measurement-of-four-principal-muscles-of-the-cervical-spine-a-reliability-and-agreement-study
#8
Cecilie Krage Øverås, Birgitte Lawaetz Myhrvold, Gro Røsok, Eli Magnesen
BACKGROUND: The reliability of musculoskeletal diagnostic ultrasound imaging (MSK-DUSI) for the evaluation of neck musculature has been sparsely documented in the research literature. Until now, research has featured a limited number of subjects and only few studies have tested for both inter- and intra-reliability using appropriate methodology. METHODS: Four examiners conducted an inter- and intra-rater reliability and agreement study. Fifty females with and without neck pain (NP) between the ages of 20-70 were recruited from October 2014 to April 2015...
2017: Chiropractic & Manual Therapies
https://www.readbyqxmd.com/read/28069517/fast-estimation-of-colles-fracture-load-of-the-distal-section-of-the-radius-by-homogenized-finite-element-analysis-based-on-hr-pqct
#9
Hadi S Hosseini, Andreas Dünki, Jonas Fabech, Martin Stauber, Nicolas Vilayphiou, Dieter Pahr, Michael Pretterklieber, Jasmin Wandel, Bert van Rietbergen, Philippe K Zysset
Fractures of the distal section of the radius (Colles' fractures) occur earlier in life than other osteoporotic fractures. Therefore, they can be interpreted as a warning signal for later, more deleterious fractures of vertebral bodies or the femoral neck. In the past decade, the advent of HR-pQCT allowed a detailed architectural analysis of the distal radius and an automated but time-consuming estimation of its strength with linear micro-finite element (μFE) analysis. Recently, a second generation of HR-pQCT scanner (XtremeCT II, SCANCO Medical, Switzerland) with a resolution beyond 61 μm became available for even more refined biomechanical investigations in vivo...
January 6, 2017: Bone
https://www.readbyqxmd.com/read/28069401/analytes-related-to-erythrocyte-metabolism-are-reliable-biomarkers-for-preanalytical-error-due-to-delayed-plasma-processing-in-metabolomics-studies
#10
Mahim Jain, Adam D Kennedy, Sarah H Elsea, Marcus J Miller
INTRODUCTION: Delaying plasma separation after phlebotomy (processing delay) can cause perturbations of numerous small molecule analytes. This poses a major challenge to the clinical application of metabolomics analyses. We define the analyte changes that occur during processing delays and generate a model for the post hoc detection of this preanalytical error. METHODS: Using an untargeted metabolomics platform we analyzed EDTA-preserved plasma specimens harvested after processing delays lasting from minutes to days...
January 6, 2017: Clinica Chimica Acta; International Journal of Clinical Chemistry
https://www.readbyqxmd.com/read/28067340/ultra-filtration-of-human-serum-for-improved-quantitative-analysis-of-low-molecular-weight-biomarkers-using-atr-ir-spectroscopy
#11
Franck Bonnier, Hélène Blasco, Clément Wasselet, Guillaume Brachet, Renaud Respaud, Luis Felipe C S Carvalho, Dominique Bertrand, Matthew J Baker, Hugh J Byrne, Igor Chourpa
Infrared spectroscopy is a reliable, rapid and cost effective characterisation technique, delivering a molecular finger print of the sample. It is expected that its sensitivity would enable detection of small chemical variations in biological samples associated with disease. ATR-IR is particularly suitable for liquid sample analysis and, although air drying is commonly performed before data collection, just a drop of human serum is enough for screening and early diagnosis. However, the dynamic range of constituent biochemical concentrations in the serum composition remains a limiting factor to the reliability of the technique...
January 9, 2017: Analyst
https://www.readbyqxmd.com/read/28064289/views-of-faculty-members-in-a-medical-school-with-regards-to-error-disclosure-and-reporting-to-parents-and-or-higher-authorities
#12
C H Wong, A C L Phuah, N S Y Naik, W S Choo, H S Y Ting, S M L Kuan, C L Teng, N Sivalingam
BACKGROUND: Little is known about the views of faculty members who train medical students concerning open disclosure. OBJECTIVES: The objectives of this study were to determine the views of faculty in a medical school on: 1 what constitutes a medical error and the severity of such an error in relation to medication use or diagnosis; 2 information giving following such an adverse event, based on severity; and 3 acknowledgement of responsibility, remedial action, compensation, disciplinary action, legal action, and reporting to a higher body in relation to such adverse event...
October 2016: Medical Journal of Malaysia
https://www.readbyqxmd.com/read/28063915/univariate-and-bivariate-likelihood-based-meta-analysis-methods-performed-comparably-when-marginal-sensitivity-and-specificity-were-the-targets-of-inference
#13
Issa J Dahabreh, Thomas A Trikalinos, Joseph Lau, Christopher H Schmid
OBJECTIVE: To compare statistical methods for meta-analysis of sensitivity and specificity of medical tests (e.g., diagnostic or screening tests). STUDY DESIGN AND SETTING: We constructed a database of PubMed-indexed meta-analyses of test performance from which 2×2 tables for each included study could be extracted. We re-analyzed the data using univariate and bivariate random effects models fit with inverse variance and maximum likelihood methods. Analyses were performed using both normal and binomial likelihoods to describe within-study variability...
January 4, 2017: Journal of Clinical Epidemiology
https://www.readbyqxmd.com/read/28063462/going-digital-a-narrative-overview-of-the-clinical-and-organisational-impacts-of-ehealth-technologies-in-hospital-practice
#14
Justin Keasberry, Ian A Scott, Clair Sullivan, Andrew Staib, Richard Ashby
Objective The aim of the present study was to determine the effects of hospital-based eHealth technologies on quality, safety and efficiency of care and clinical outcomes.Methods Systematic reviews and reviews of systematic reviews of eHealth technologies published in PubMed/Medline/Cochrane Library between January 2010 and October 2015 were evaluated. Reviews of implementation issues, non-hospital settings or remote care or patient-focused technologies were excluded from analysis. Methodological quality was assessed using a validated appraisal tool...
January 9, 2017: Australian Health Review: a Publication of the Australian Hospital Association
https://www.readbyqxmd.com/read/28056453/reduction-of-motion-artifacts-and-noise-using-independent-component-analysis-in-task-based-functional-mri-for-preoperative-planning-in-patients-with-brain-tumor
#15
E H Middlebrooks, C J Frost, I S Tuna, I M Schmalfuss, M Rahman, A Old Crow
BACKGROUND AND PURPOSE: Although it is a potentially powerful presurgical tool, fMRI can be fraught with artifacts, leading to interpretive errors, many of which are not fully accounted for in routinely applied correction methods. The purpose of this investigation was to evaluate the effects of data denoising by independent component analysis in patients undergoing preoperative evaluation for glioma resection compared with more routinely applied correction methods such as realignment or motion scrubbing...
November 10, 2016: AJNR. American Journal of Neuroradiology
https://www.readbyqxmd.com/read/28054373/birnbaum-saunders-frailty-regression-models-diagnostics-and-application-to-medical-data
#16
Jeremias Leão, Víctor Leiva, Helton Saulo, Vera Tomazella
In survival models, some covariates affecting the lifetime could not be observed or measured. These covariates may correspond to environmental or genetic factors and be considered as a random effect related to a frailty of the individuals explaining their survival times. We propose a methodology based on a Birnbaum-Saunders frailty regression model, which can be applied to censored or uncensored data. Maximum-likelihood methods are used to estimate the model parameters and to derive local influence techniques...
January 5, 2017: Biometrical Journal. Biometrische Zeitschrift
https://www.readbyqxmd.com/read/28050417/diffuse-parenchymal-lung-diseases-with-clinicoradiological-discordance-role-of-transbronchial-lung-biopsy-as-a-diagnostic-tool-an-observational-study
#17
K P Suraj, Kiran Vishnu Narayan, Jyothi Edakalavan, Neethu Kesava Kumar
INTRODUCTION: The diagnosis of Diffuse Parenchymal Lung Disease (DPLD) requires a multidisciplinary approach with reconciliation of clinicoradiological and histopathological data. But when the preliminary clinicoradiological profile fails to suggest a diagnosis, an adequate lung biopsy specimen with meticulous histological examination and a multidisciplinary approach usually yields results. There is also a high chance of sampling error due to patchy and heterogeneous involvement of the disease process and due to the small volume of tissue taken...
November 2016: Journal of Clinical and Diagnostic Research: JCDR
https://www.readbyqxmd.com/read/28048371/we-g-209-01-digital-radiography
#18
B Schueler
: Digital radiography, CT, PET, and MR are complicated imaging modalities which are composed of many hardware and software components. These components work together in a highly coordinated chain of events with the intent to produce high quality images. Acquisition, processing and reconstruction of data must occur in a precise way for optimum image quality to be achieved. Any error or unexpected event in the entire process can produce unwanted pixel intensities in the final images which may contribute to visible image artifacts...
June 2016: Medical Physics
https://www.readbyqxmd.com/read/28048126/su-g-206-11-the-effect-of-table-height-on-ctdivol-and-ssde-in-ct-scanning-a-phantom-study
#19
R Marsh, M Silosky
PURPOSE: Localizer projection radiographs acquired prior to CT scans are used to estimate patient size, affecting the function of Automatic Tube Current Modulation (ATCM) and calculation of the Size Specific Dose Estimate (SSDE). Due to geometric effects, the projected patient size varies with scanner table height and with the orientation of the localizer (AP versus PA). Consequently, variations in scanner table height may affect both CTDIvol and the calculated size-corrected dose index (SSDE)...
June 2016: Medical Physics
https://www.readbyqxmd.com/read/28047841/tu-h-207a-04-how-patient-positioning-in-ct-affects-more-than-the-aec-image-noise-uniformity-and-ct-number-changes-as-a-function-of-positioning
#20
T Szczykutowicz, A Duplissis, D Miller
PURPOSE: Studies dealing with patient positioning in CT have mainly dealt with dose and image noise changes. For diagnosis, only dose decreases can negatively affect the diagnostic utility of the exam via an increase in image noise. However, a little studied consequence of poor positioning is CT number and noise uniformity changes. METHODS: An anthropomorphic phantom was imaged in 2 cm vertical steps between the highest and lowest couch positions. CT number and noise were measured using regions of interest (ROI) in the upper-thorax, mid-thorax, and abdomen...
June 2016: Medical Physics
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