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https://www.readbyqxmd.com/read/27933736/structural-insight-into-the-anti-prion-compound-inhibition-mechanism-of-native-prion-folding-over-misfolding
#1
Jiwon Choi, Rajiv Gandhi Govindaraj, Jae Wook Hyeon, Kyungro Lee, SongLing Ma, Su Yeon Kim, Jeongmin Lee, Kyoung Tai No
Transition of a physiological folded prion (PrP(C) ) into a pathogenic misfolded prion (PrP(S)(c) ) causes lethal neurodegenerative disorders and prion diseases. Anti-prion compounds have been developed to prevent this conversion; however, their mechanism of action remains unclear. Recently, we reported two anti-prion compounds, BMD29 and 35, identified by in silico and in vitro screening. In this study, we used extensive explicit-solvent molecular dynamics simulations to investigate ligand binding inhibition by anti-prion compounds in prion folding over misfolding behavior at acidic pH...
December 9, 2016: Chemical Biology & Drug Design
https://www.readbyqxmd.com/read/27933735/danazol-has-potential-to-cause-pkc-translocation-cell-cycle-dysregulation-and-apoptosis-in-breast-cancer-cells
#2
Suman Jyoti Deka, Ashalata Roy, Vibin Ramakrishnan, Debasis Manna, Vishal Trivedi
Danazol, the established clinical drug has given promising therapeutic results in a series of clinical trials with breast cancer patients. Danazol shares structural similarities with several known PKC agonists and fits well into the C1 domain. Danazol binds to the C1b domain of PKC with Kd of 5.64±1.27 μM. MD simulation studies further support that the PKC-Danazol molecular model is stable and showing minimum distortion to the structure during the simulation period. Immunofluorescence and western-blotting studies indicate that MDAMB-231 cells stimulated with danazol exhibit translocation of PKCα to the plasma membrane...
December 9, 2016: Chemical Biology & Drug Design
https://www.readbyqxmd.com/read/27933728/sequential-change-detection-and-monitoring-of-temporal-trends-in-random-effects-meta-analysis
#3
Samson Henry Dogo, Allan Clark, Elena Kulinskaya
Temporal changes in magnitude of effect sizes reported in many areas of research are a threat to the credibility of the results and conclusions of meta-analysis. Numerous sequential methods for meta-analysis have been proposed to detect changes and monitor trends in effect sizes so that meta-analysis can be updated when necessary and interpreted based on the time it was conducted. The difficulties of sequential meta-analysis under the random-effects model are caused by dependencies in increments introduced by the estimation of the heterogeneity parameter τ(2) ...
December 8, 2016: Research Synthesis Methods
https://www.readbyqxmd.com/read/27933495/photocatalysis-of-s-metolachlor-in-aqueous-suspension-of-magnetic-cerium-doped-mtio2-core-shell-under-simulated-solar-light
#4
J Mermana, P Sutthivaiyakit, C Blaise, F Gagné, S Charnsethikul, P Kidkhunthod, S Sutthivaiyakit
Magnetic cerium-doped mesoporous titanium dioxide was synthesized by combining sol-gel method and calcination using tetrabutanate and ammonium cerium nitrate as precursors and Pluronic P123 as a template coating on iron oxide covered with carbon in ethanol. The magnetic Ce-doped catalyst showed only anatase structure with a slight increase in lattice parameters compared to the undoped catalyst. The Ce LIII-edge X-ray absorption near-edge spectroscopy (XANES) spectra showed Ce(3+), and the cerium substitution doping into titanium dioxide was proposed...
December 8, 2016: Environmental Science and Pollution Research International
https://www.readbyqxmd.com/read/27933468/conditional-screening-for-ultra-high-dimensional-covariates-with-survival-outcomes
#5
Hyokyoung G Hong, Jian Kang, Yi Li
Identifying important biomarkers that are predictive for cancer patients' prognosis is key in gaining better insights into the biological influences on the disease and has become a critical component of precision medicine. The emergence of large-scale biomedical survival studies, which typically involve excessive number of biomarkers, has brought high demand in designing efficient screening tools for selecting predictive biomarkers. The vast amount of biomarkers defies any existing variable selection methods via regularization...
December 8, 2016: Lifetime Data Analysis
https://www.readbyqxmd.com/read/27933452/responses-of-tropical-legumes-from-the-brazilian-atlantic-rainforest-to-simulated-acid-rain
#6
Guilherme C Andrade, Luzimar C Silva
We investigated the morphological and anatomical effects of simulated acid rain on leaves of two species native to the Brazilian Atlantic Rainforest: Paubrasilia echinata and Libidibia ferrea var. leiostachya. Saplings were subjected to acid rain in a simulation chamber during 10 days for 15 min daily, using H2SO4 solution pH 3.0 and, in the control, deionized water. At the end of the experiment, fragments from young and expanding leaves were anatomically analyzed. Although L. ferrea var. leiostachya leaves are more hydrophobic, rain droplets remained in contact with them for a longer time, as in the hydrophilic P...
December 8, 2016: Protoplasma
https://www.readbyqxmd.com/read/27933430/structural-dynamics-of-nucleosome-mediated-by-acetylations-at-h3k56-and-h3k115-122
#7
Muthukumaran Rajagopalan, Sangeetha Balasubramanian, Ilya Ioshikhes, Amutha Ramaswamy
Post translational modifications have a profound role in the regulation of several biological processes such as transcription, replication, and DNA repair. Acetylation and phosphorylation form a major class of post translational modifications involved in nucleosomal regulation by modifying its structure. The effect of post translational modifications on nucleosome structure could be better explored when the molecular trajectories explaining the time dependent structural evolution over a period of time is examined at the atomic level...
December 8, 2016: European Biophysics Journal: EBJ
https://www.readbyqxmd.com/read/27933420/comparative-simulation-study-of-chemical-synthesis-of-functional-dadne-material
#8
Min Hsien Liu, Chuan Wen Liu
Amorphous molecular simulation to model the reaction species in the synthesis of chemically inert and energetic 1,1-diamino-2,2-dinitroethene (DADNE) explosive material was performed in this work. Nitromethane was selected as the starting reactant to undergo halogenation, nitration, deprotonation, intermolecular condensation, and dehydration to produce the target DADNE product. The Materials Studio (MS) forcite program allowed fast energy calculations and reliable geometric optimization of all aqueous molecular reaction systems (0...
January 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/27933417/on-the-characterization-of-the-heterogeneous-mechanical-response-of-human-brain-tissue
#9
Antonio E Forte, Stephen M Gentleman, Daniele Dini
The mechanical characterization of brain tissue is a complex task that scientists have tried to accomplish for over 50 years. The results in the literature often differ by orders of magnitude because of the lack of a standard testing protocol. Different testing conditions (including humidity, temperature, strain rate), the methodology adopted, and the variety of the species analysed are all potential sources of discrepancies in the measurements. In this work, we present a rigorous experimental investigation on the mechanical properties of human brain, covering both grey and white matter...
December 8, 2016: Biomechanics and Modeling in Mechanobiology
https://www.readbyqxmd.com/read/27933407/simvascular-an-open-source-pipeline-for-cardiovascular-simulation
#10
REVIEW
Adam Updegrove, Nathan M Wilson, Jameson Merkow, Hongzhi Lan, Alison L Marsden, Shawn C Shadden
Patient-specific cardiovascular simulation has become a paradigm in cardiovascular research and is emerging as a powerful tool in basic, translational and clinical research. In this paper we discuss the recent development of a fully open-source SimVascular software package, which provides a complete pipeline from medical image data segmentation to patient-specific blood flow simulation and analysis. This package serves as a research tool for cardiovascular modeling and simulation, and has contributed to numerous advances in personalized medicine, surgical planning and medical device design...
December 8, 2016: Annals of Biomedical Engineering
https://www.readbyqxmd.com/read/27933375/a-novel-method-of-adrenal-venous-sampling-via-an-antecubital-approach
#11
Xiongjing Jiang, Hui Dong, Meng Peng, Wuqiang Che, Yubao Zou, Lei Song, Huimin Zhang, Haiying Wu
PURPOSE: Currently, almost all adrenal venous sampling (AVS) procedures are performed by femoral vein access. The purpose of this study was to establish the technique of AVS via an antecubital approach and evaluate its safety and feasibility. MATERIALS AND METHODS: From January 2012 to June 2015, 194 consecutive patients diagnosed as primary aldosteronism underwent AVS via an antecubital approach without ACTH simulation. Catheters used for bilateral adrenal cannulations were recorded...
December 8, 2016: Cardiovascular and Interventional Radiology
https://www.readbyqxmd.com/read/27933319/a-metabolic-widget-adjusts-the-phosphoenolpyruvate-dependent-fructose-influx-in-pseudomonas-putida
#12
Max Chavarría, Ángel Goñi-Moreno, Víctor de Lorenzo, Pablo I Nikel
Fructose uptake in the soil bacterium Pseudomonas putida occurs through a canonical phosphoenolpyruvate (PEP)-dependent sugar transport system (PTS(Fru)). The logic of the genetic circuit that rules its functioning is puzzling: the transcription of the fruBKA operon, encoding all the components of PTS(Fru), can escape the repression exerted by the catabolite repressor/activator protein Cra solely in the presence of intracellular fructose-1-P, an agonist formed only when fructose has been already transported...
November 2016: MSystems
https://www.readbyqxmd.com/read/27933290/validation-of-a-cochlear-implant-patient-specific-model-of-the-voltage-distribution-in-a-clinical-setting
#13
Waldo Nogueira, Daniel Schurzig, Andreas Büchner, Richard T Penninger, Waldemar Würfel
Cochlear Implants (CIs) are medical implantable devices that can restore the sense of hearing in people with profound hearing loss. Clinical trials assessing speech intelligibility in CI users have found large intersubject variability. One possibility to explain the variability is the individual differences in the interface created between electrodes of the CI and the auditory nerve. In order to understand the variability, models of the voltage distribution of the electrically stimulated cochlea may be useful...
2016: Frontiers in Bioengineering and Biotechnology
https://www.readbyqxmd.com/read/27933287/the-generalized-relative-pairs-ibd-distribution-its-use-in-the-detection-of-linkage
#14
Quan Zou
I introduce a novel approach to derive the distribution of disease affectional status given alleles identical by descent (IBD) sharing through ITO method. My approach tremendously simplifies the calculation of the affectional status distribution compared to the conventional method, which requires the parental mating information, and could be applied to disease with both dichotomous trait and quantitative trait locus (QTL). This distribution is shown to be independent of relative relationship and be employed to develop the marker IBD distributions for relative relationship...
2016: Frontiers in Public Health
https://www.readbyqxmd.com/read/27933263/manifold-regularization-for-sparse-unmixing-of-hyperspectral-images
#15
Junmin Liu, Chunxia Zhang, Jiangshe Zhang, Huirong Li, Yuelin Gao
BACKGROUND: Recently, sparse unmixing has been successfully applied to spectral mixture analysis of remotely sensed hyperspectral images. Based on the assumption that the observed image signatures can be expressed in the form of linear combinations of a number of pure spectral signatures known in advance, unmixing of each mixed pixel in the scene is to find an optimal subset of signatures in a very large spectral library, which is cast into the framework of sparse regression. However, traditional sparse regression models, such as collaborative sparse regression, ignore the intrinsic geometric structure in the hyperspectral data...
2016: SpringerPlus
https://www.readbyqxmd.com/read/27933245/an-adaptive-switching-filter-based-on-approximated-variance-for-detection-of-impulse-noise-from-color-images
#16
K Pritamdas, Kh Manglem Singh, L Lolitkumar Singh
A new adaptive switching algorithm is presented where two adaptive filters are switched correspondingly for lower and higher noise ratio of the image. An adaptive center weighted vector median filter is used for the lower noise ratio whereas for higher noise ratio the noisy pixels are detected based on the comparison of the difference between the mean of the vector pixels in the window and the approximated variance of the vector pixels in the window. Then the window comprising the detected noisy pixel is further considered where the pixels are given exponential weights according to their similarity to the other neighboring pixels, spatially and radio metrically...
2016: SpringerPlus
https://www.readbyqxmd.com/read/27933234/simulation-enhanced-distributed-lag-models-for-mortality-displacement
#17
Koen Simons, Ronald Buyl, An Van Nieuwenhuyse, Danny Coomans
Distributed lag models (DLM) are attractive methods for dealing with mortality displacement, however their estimates can have substantial bias when the data is generated by a multi-state model. In particular DLMs are not valid for mortality displacement. Alternative methods are scarce and lack feasibility and validation. We investigate the breakdown of DLM in three state models by means of simulation and propose simulation enhanced distributed lag models (SEDLM) to overcome the defects. The new method provides simultaneous estimates of the net effect (entry) and the displacement effect (exit)...
2016: SpringerPlus
https://www.readbyqxmd.com/read/27933230/maximum-likelihood-based-analysis-of-equally-spaced-longitudinal-count-data-with-first-order-antedependence-and-overdispersion
#18
Victoria Gamerman, Matthew Guerra, Justine Shults
This manuscript implements a maximum likelihood based approach that is appropriate for equally spaced longitudinal count data with over-dispersion, so that the variance of the outcome variable is larger than expected for the assumed Poisson distribution. We implement the proposed method in the analysis of seizure data and a subset of German Socio-Economic Panel data. To demonstrate the importance of correctly modeling the over-dispersion, we make comparisons with the semi-parametric generalized estimating equations approach that incorrectly ignores any over-dispersion in the data...
2016: SpringerPlus
https://www.readbyqxmd.com/read/27933221/evaluating-the-biostability-of-yellow-and-clear-intraocular-lenses-with-a-system-simulating-natural-intraocular-environment
#19
Rijo Hayashi, Shimmin Hayashi, Kiyomi Arai, Shinichirou Yoshida, Makoto Chikuda, Shigeki Machida
PURPOSE: Blue light-filtering intraocular lenses (IOLs) are thought to protect the retina from blue light damage after cataract surgery, and the implantation of yellow-tinted IOLs has been commonly used in cataract surgery. To our knowledge, this is the first investigation measuring the long-term biostability of yellow-tinted IOLs using an in vitro system simulating natural intraocular environment. METHODS: Six hydrophobic acrylic IOLs, three clear IOLs, and three yellow-tinted IOLs were included in the study...
December 2016: Translational Vision Science & Technology
https://www.readbyqxmd.com/read/27933152/ensuring-availability-of-in-date-and-fit-for-purpose-emergency-guidelines-in-all-anaesthetic-areas-throughout-the-south-east-scotland-deanery
#20
Elise Hindle
Our aim was to institute a system whereby emergency anaesthetic guidelines are available in >90% of appropriate clinical areas throughout each of the acute hospital sites in three health board administrative regions, and whereby >90% of available guidelines are deemed to be in date and fit for purpose. Our objective was to achieve these targets within 6 months. Using quality improvement methodology, we inventoried available emergency anaesthetic guidelines in 132 locations throughout seven acute care hospitals...
2016: BMJ Quality Improvement Reports
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