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https://www.readbyqxmd.com/read/29166073/theoretical-investigation-of-rotationally-inelastic-collisions-of-ch-x-2-%C3%AE-with-hydrogen-atoms
#1
Paul J Dagdigian
We report calculations of state-to-state cross sections for collision-induced rotational transitions of CH(X(2)Π) with atomic hydrogen. These calculations employed the four adiabatic potential energy surfaces correlating CH(X(2)Π) + H((2)S), computed in this work through the multi-reference configuration interaction method [MRCISD + Q(Davidson)]. Because of the presence of deep wells on three of the potential energy surfaces, the scattering calculations were carried out using the quantum statistical method of Manolopoulos and co-workers [Chem...
June 14, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29163110/modeling-uncertainties-in-eeg-microstates-analysis-of-real-and-imagined-motor-movements-using-probabilistic-clustering-driven-training-of-probabilistic-neural-networks
#2
Martin Dinov, Robert Leech
Part of the process of EEG microstate estimation involves clustering EEG channel data at the global field power (GFP) maxima, very commonly using a modified K-means approach. Clustering has also been done deterministically, despite there being uncertainties in multiple stages of the microstate analysis, including the GFP peak definition, the clustering itself and in the post-clustering assignment of microstates back onto the EEG timecourse of interest. We perform a fully probabilistic microstate clustering and labeling, to account for these sources of uncertainty using the closest probabilistic analog to KM called Fuzzy C-means (FCM)...
2017: Frontiers in Human Neuroscience
https://www.readbyqxmd.com/read/29163021/schizophrenia-shows-disrupted-links-between-brain-volume-and-dynamic-functional-connectivity
#3
Anees Abrol, Barnaly Rashid, Srinivas Rachakonda, Eswar Damaraju, Vince D Calhoun
Studies featuring multimodal neuroimaging data fusion for understanding brain function and structure, or disease characterization, leverage the partial information available in each of the modalities to reveal data variations not exhibited through the independent analyses. Similar to other complex syndromes, the characteristic brain abnormalities in schizophrenia may be better understood with the help of the additional information conveyed by leveraging an advanced modeling method involving multiple modalities...
2017: Frontiers in Neuroscience
https://www.readbyqxmd.com/read/29158660/empowering-one-community-at-a-time-for-policy-system-and-environmental-changes-to-impact-obesity
#4
Katrina Betancourt, Andrea Ridgway, Joy Rockenbach, Sequoya Eady, Joanice Thompson, Lori Brand Bateman, Mona N Fouad, Yu-Mei M Schoenberger
Objective: This article describes Mayors Mentoring Mayors (3M), an initiative of the Arkansas Coalition for Obesity Prevention (ArCOP), which expanded to five states to become the signature community initiative of the Mid-South Transdisciplinary Collaborative Center (Mid-South TCC) for Health Disparities Research. Methods: The 3M program is an extension of the Growing Healthy Communities (GHC) program, which sought to build capacity within communities to reduce obesity by implementing policy, system and environmental (PSE) changes that support healthy living...
2017: Ethnicity & Disease
https://www.readbyqxmd.com/read/29158130/a-new-look-at-an-old-view-of-denaturant-induced-protein-unfolding
#5
Damien Hall, Akira Kinjo, Yuji Goto
We re-examine a site-binding approach independently proposed by Schellman (Schellman, J.A. (1958) Compt. rend. Lab. Carlsberg Ser. Chim. 30, 439-449) and Aune and Tanford (Aune, K.C. and Tanford, D. (1969) Biochemistry, 8, 4586-4590) for explicitly including the denaturant concentration within the protein unfolding equilibrium. We extend and formalize the approach through development of a multi-dimensional analytical model in which the folding reaction coordinate is defined by the number of denaturant molecules bound to sites located on either the initially folded, or unfolded, states of the protein...
November 17, 2017: Analytical Biochemistry
https://www.readbyqxmd.com/read/29155862/a-multi-paradigm-framework-to-assess-the-impacts-of-climate-change-on-end-use-energy-demand
#6
Roshanak Nateghi, Sayanti Mukherjee
Projecting the long-term trends in energy demand is an increasingly complex endeavor due to the uncertain emerging changes in factors such as climate and policy. The existing energy-economy paradigms used to characterize the long-term trends in the energy sector do not adequately account for climate variability and change. In this paper, we propose a multi-paradigm framework for estimating the climate sensitivity of end-use energy demand that can easily be integrated with the existing energy-economy models...
2017: PloS One
https://www.readbyqxmd.com/read/29153013/estimation-of-overdiagnosis-in-breast-cancer-screening-using-a-non-homogeneous-multi-state-model-a-simulation-study
#7
Wendy Y-Y Wu, Lennarth Nyström, Håkan Jonsson
Objectives Overdiagnosis is regarded as a harm of screening. We aimed to develop a non-homogeneous multi-state model to consider the age-specific transition rates for estimation of overdiagnosis, to validate the model by a simulation study where the true frequency of overdiagnosis can be calculated, and to compare our estimate with the cumulative incidence method. Methods We constructed a four-state model to describe the natural history of breast cancer. The latent disease progression and the observed states for each individual were simulated in a trial with biennial screening of women aged 51-69 and a control group of the same size without screening...
January 1, 2017: Journal of Medical Screening
https://www.readbyqxmd.com/read/29151184/analysis-of-an-optimal-public-transport-structure-under-a-carbon-emission-constraint-a-case-study-in-shanghai-china
#8
Linling Zhang, Ruyin Long, Hong Chen, Tong Yang
Along with the rapid development of the transportation industry, the problems of the energy crisis and transport emissions have become increasingly serious. The success of traffic emission reduction is related to the realization of global low-carbon goals. Placing priority on public transport is the internationally recognized traffic development model. This paper takes Shanghai, China, as an example to examine the optimal public transport structure. Five factors were selected from personal and public perspectives, including travel costs, crowding degree, occupied area, traffic emissions, and operating subsidies...
November 18, 2017: Environmental Science and Pollution Research International
https://www.readbyqxmd.com/read/29149715/robust-brain-roi-segmentation-by-deformation-regression-and-deformable-shape-model
#9
Zhengwang Wu, Yanrong Guo, Sang Hyun Park, Yaozong Gao, Pei Dong, Seong-Whan Lee, Dinggang Shen
We propose a robust and efficient learning-based deformable model for segmenting regions of interest (ROIs) from structural MR brain images. Different from the conventional deformable-model-based methods that deform a shape model locally around the initialization location, we learn an image-based regressor to guide the deformable model to fit for the target ROI. Specifically, given any voxel in a new image, the image-based regressor can predict the displacement vector from this voxel towards the boundary of target ROI, which can be used to guide the deformable segmentation...
November 10, 2017: Medical Image Analysis
https://www.readbyqxmd.com/read/29145733/harnessing-novel-imaging-approaches-to-guide-hiv-prevention-and-cure-discoveries-a-national-institutes-of-health-and-global-hiv-vaccine-enterprise-2017-meeting-report
#10
Brigitte Elisabeth Sanders-Beer, Yegor Voronin, David McDonald, Anjali Singh
Advances in imaging technologies have greatly increased our understanding of cellular and molecular interactions in humans and their corresponding animal models of infectious diseases. In the HIV/SIV field, imaging has provided key insights into mucosal viral transmission, local and systemic virus spread, host-virus dynamics, and chronic inflammation/immune activation and the resultant immunopathology. Recent developments in imaging applications are yielding physical, spatial, and temporal measurements to enhance insight into biological functions and disease processes, while retaining important cellular, microenvironmental, organ and intact organism contextual details...
November 16, 2017: AIDS Research and Human Retroviruses
https://www.readbyqxmd.com/read/29145405/drivers-of-house-invasion-by-sylvatic-chagas-disease-vectors-in-the-amazon-cerrado-transition-a-multi-year-state-wide-assessment-of-municipality-aggregated-surveillance-data
#11
Raíssa N Brito, David E Gorla, Liléia Diotaiuti, Anália C F Gomes, Rita C M Souza, Fernando Abad-Franch
BACKGROUND: Insecticide spraying efficiently controls house infestation by triatomine bugs, the vectors of Trypanosoma cruzi. The strategy, however, is ineffective against sylvatic triatomines, which can transmit Chagas disease by invading (without colonizing) man-made structures. Despite growing awareness of the relevance of these transmission dynamics, the drivers of house invasion by sylvatic triatomines remain poorly understood. METHODS/FINDINGS: About 12,000 sylvatic triatomines were caught during routine surveillance in houses of Tocantins state, Brazil, in 2005-2013...
November 2017: PLoS Neglected Tropical Diseases
https://www.readbyqxmd.com/read/29142210/millisecond-dynamics-of-btk-reveal-kinome-wide-conformational-plasticity-within-the-apo-kinase-domain
#12
Mohammad M Sultan, Rajiah Aldrin Denny, Ray Unwalla, Frank Lovering, Vijay S Pande
Bruton tyrosine kinase (BTK) is a key enzyme in B-cell development whose improper regulation causes severe immunodeficiency diseases. Design of selective BTK therapeutics would benefit from improved, in-silico structural modeling of the kinase's solution ensemble. However, this remains challenging due to the immense computational cost of sampling events on biological timescales. In this work, we combine multi-millisecond molecular dynamics (MD) simulations with Markov state models (MSMs) to report on the thermodynamics, kinetics, and accessible states of BTK's kinase domain...
November 15, 2017: Scientific Reports
https://www.readbyqxmd.com/read/29141598/worklife-expectancy-in-a-cohort-of-danish-employees-aged-55-65%C3%A2-years-comparing-a-multi-state-cox-proportional-hazard-approach-with-conventional-multi-state-life-tables
#13
Jacob Pedersen, Jakob Bue Bjorner
BACKGROUND: Work life expectancy (WLE) expresses the expected time a person will remain in the labor market until he or she retires. This paper compares a life table approach to estimating WLE to an approach based on multi-state proportional hazards models. The two methods are used to estimate WLE in Danish members and non-members of an early retirement pensioning (ERP) scheme according to levels of health. METHODS: In 2008, data on self-rated health (SRH) was collected from 5212 employees 55-65 years of age...
November 15, 2017: BMC Public Health
https://www.readbyqxmd.com/read/29140505/the-nrpi-multi-purpose-on-line-monitoring-station-for-measurement-of-natural-radioactivity-in-the-ambient-atmosphere-and-in-the-soil
#14
K Jílek, M Slezáková, A Fronka, T Prokop, L Neubauer
During years 2010-12 an automated, on-line and wireless outdoor measurement station of atmospheric radon, gamma dose rate and meteorological parameters was realised at the National Radiation Protection Institute (NRPI) in Prague. At the turn of the year 2013 an expansion of the existing station was completed. Under the project funded by the Czech Technological Agency a new updated station was established, additionally equipped with modules for measurement of atmospheric radon/thoron short-lived decay products, radon in water and soil and radon exhalation rate from soil...
November 13, 2017: Radiation Protection Dosimetry
https://www.readbyqxmd.com/read/29137627/prevalence-of-current-patterns-and-predictive-trends-of-multidrug-resistant-salmonella-typhi-in-sudan
#15
Ayman A Elshayeb, Abdelazim A Ahmed, Marmar A El Siddig, Adil A El Hussien
BACKGROUND: Enteric fever has persistence of great impact in Sudanese public health especially during rainy season when the causative agent Salmonella enterica serovar Typhi possesses pan endemic patterns in most regions of Sudan - Khartoum. OBJECTIVES: The present study aims to assess the recent state of antibiotics susceptibility of Salmonella Typhi with special concern to multidrug resistance strains and predict the emergence of new resistant patterns and outbreaks...
November 14, 2017: Annals of Clinical Microbiology and Antimicrobials
https://www.readbyqxmd.com/read/29136610/explicit-ringing-removal-in-image-deblurring
#16
Ali Mosleh, Yasser Elmi Sola, Farzad Zargari, Emmanuel Onzon, J M Pierre Langlois
In this paper, we present a simple yet effective image deblurring method to produce ringing-free deblurred images. Our work is inspired by the observation that large-scale deblurring ringing artifacts are measurable through a multi-resolution pyramid of low-pass filtering of the blurred-deblurred image pair. We propose to model such a quantification as a convex cost function and minimize it directly in the deblurring process in order to reduce ringing regardless of its cause. An efficient primal-dual algorithm is proposed as a solution to this optimization problem...
February 2018: IEEE Transactions on Image Processing: a Publication of the IEEE Signal Processing Society
https://www.readbyqxmd.com/read/29134635/ribociclib-bioavailability-is-not-affected-by-gastric-ph-changes-or-food-intake-in-silico-and-clinical-evaluations
#17
Tanay S Samant, Shyeilla Dhuria, Yasong Lu, Marc Laisney, Shu Yang, Arnaud Grandeury, Martin Mueller-Zsigmondy, Kenichi Umehara, Felix Huth, Michelle Miller, Caroline Germa, Mohamed Elmeliegy
Ribociclib (KISQALI®), a cyclin-dependent kinase 4/6 inhibitor approved for the first-line treatment of HR+/HER2- advanced breast cancer with an aromatase inhibitor, is administered with no restrictions on concomitant gastric pH-elevating agents or food intake. The influence of proton pump inhibitors (PPIs) on ribociclib bioavailability was assessed using (1) biorelevant media solubility, (2) physiologically based pharmacokinetic (PBPK) modeling, (3) non-compartmental analysis (NCA) of clinical trial data, and (4) population PK (PopPK) analysis...
November 14, 2017: Clinical Pharmacology and Therapeutics
https://www.readbyqxmd.com/read/29132934/the-evolution-of-pathogen-virulence-effects-of-transitions-between-host-types
#18
Paul David Williams, Stephanie Jill Kamel
Much of evolutionary epidemiology theory is derived from a perspective in which all hosts, and all parasites, are epidemiologically equivalent. This stands in contrast to the well-documented existence of the numerous processes generating heterogeneity among hosts and parasites that can profoundly influence evolutionary/epidemiological dynamics. Age-related immunological changes, inequities in nutritional status, and interactions between parasites via coinfection are just a few of the many factors that generate heterogeneity among hosts in the ways they express susceptibility to, and respond to infection by, a focal pathogen...
November 10, 2017: Journal of Theoretical Biology
https://www.readbyqxmd.com/read/29132741/model-predictive-controller-based-multi-model-control-system-for-longitudinal-stability-of-distributed-drive-electric-vehicle
#19
Ke Shi, Xiaofang Yuan, Liang Liu
Distributed drive electric vehicle(DDEV) has been widely researched recently, its longitudinal stability is a very important research topic. Conventional wheel slip ratio control strategies are usually designed for one special operating mode and the optimal performance cannot be obtained as DDEV works under various operating modes. In this paper, a novel model predictive controller-based multi-model control system (MPC-MMCS) is proposed to solve the longitudinal stability problem of DDEV. Firstly, the operation state of DDEV is summarized as three kinds of typical operating modes...
November 10, 2017: ISA Transactions
https://www.readbyqxmd.com/read/29132389/advances-challenges-and-future-directions-for-stem-cell-therapy-in-amyotrophic-lateral-sclerosis
#20
REVIEW
Yuri Ciervo, Ke Ning, Xu Jun, Pamela J Shaw, Richard J Mead
Amyotrophic lateral sclerosis (ALS) is a rapidly progressive neurodegenerative condition where loss of motor neurons within the brain and spinal cord leads to muscle atrophy, weakness, paralysis and ultimately death within 3-5 years from onset of symptoms. The specific molecular mechanisms underlying the disease pathology are not fully understood and neuroprotective treatment options are minimally effective. In recent years, stem cell transplantation as a new therapy for ALS patients has been extensively investigated, becoming an intense and debated field of study...
November 13, 2017: Molecular Neurodegeneration
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