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https://www.readbyqxmd.com/read/29923722/a-configurational-bias-monte-carlo-back-mapping-algorithm-for-efficient-and-rapid-conversion-of-coarse-grained-water-structures-into-atomistic-models
#1
Troy David Loeffler, Henry Chan, Badri Narayanan, Mathew J Cherukara, Stephen K Gray, Subramanian K R S Sankaranarayanan
Coarse-grained molecular dynamics (MD) simulations represent a powerful approach to simulate longer time scale and larger length scale phenomena than those accessible to all-atom models. The gain in efficiency, however, comes at the cost of atomistic details. The reverse transformation, also known as back-mapping, of coarse grained beads into their atomistic constituents represents a major challenge. Most existing approaches are limited to specific molecules or specific force-fields and often rely on running a long time atomistic MD of the back-mapped configuration to arrive at an optimal solution...
June 20, 2018: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/29923657/analysing-ecological-networks-of-species-interactions
#2
Eva Delmas, Mathilde Besson, Marie-Hélène Brice, Laura A Burkle, Giulio V Dalla Riva, Marie-Josée Fortin, Dominique Gravel, Paulo R Guimarães, David H Hembry, Erica A Newman, Jens M Olesen, Mathias M Pires, Justin D Yeakel, Timothée Poisot
Network approaches to ecological questions have been increasingly used, particularly in recent decades. The abstraction of ecological systems - such as communities - through networks of interactions between their components indeed provides a way to summarize this information with single objects. The methodological framework derived from graph theory also provides numerous approaches and measures to analyze these objects and can offer new perspectives on established ecological theories as well as tools to address new challenges...
June 20, 2018: Biological Reviews of the Cambridge Philosophical Society
https://www.readbyqxmd.com/read/29921492/development-of-multi-epitope-driven-subunit-vaccine-in-secretory-and-membrane-protein-of-plasmodium-falciparum-to-convey-protection-against-malaria-infection
#3
Rajan Kumar Pandey, Mudassar Ali, Rupal Ojha, Tarun Kumar Bhatt, Vijay Kumar Prajapati
Malaria infection is the severe health concern for a long time. As per the WHO reports, the malarial infection causes huge mortality all around the world and is incomparable with any other infectious diseases. The absence of effective treatment options and increasing drug resistance to the available therapeutics like artemisinin and other derivatives demand an efficient alternative to overcome this death burden. Here, we performed the literature survey and sorted the Plasmodium falciparum secretory and membrane proteins to design multi-epitope subunit vaccine using an adjuvant, B-cell- and T-cell epitopes...
June 16, 2018: Vaccine
https://www.readbyqxmd.com/read/29921172/antimicrobial-resistance-in-south-east-asia-time-to-ask-the-right-questions
#4
Manish Kakkar, Pranab Chatterjee, Abhimanyu Singh Chauhan, Delia Grace, Johanna Lindahl, Arlyne Beeche, Fang Jing, Suwit Chotinan
Antimicrobial resistance (AMR) has emerged as a major public health concern, around which the international leadership has come together to form strategic partnerships and action plans. The main driving force behind the emergence of AMR is selection pressure created due to consumption of antibiotics. Consumption of antibiotics in human as well as animal sectors are driven by a complex interplay of determinants, many of which are typical to the local settings. Several sensitive and essential realities are tied with antibiotic consumption - food security, livelihoods, poverty alleviation, healthcare access and national economies, to name a few...
2018: Global Health Action
https://www.readbyqxmd.com/read/29915392/o-glcnacylation-mediates-metastasis-of-cholangiocarcinoma-through-foxo3-and-man1a1
#5
Chatchai Phoomak, Atit Silsirivanit, Dayoung Park, Kanlayanee Sawanyawisuth, Kulthida Vaeteewoottacharn, Chaisiri Wongkham, Eric W-F Lam, Chawalit Pairojkul, Carlito B Lebrilla, Sopit Wongkham
The leading cause of death in cancer patients is metastasis, for which an effective treatment is still necessary. During metastasis, cancer cells aberrantly express several glycans that are correlated with poor patient outcome. This study was aimed toward exploring the effects of O-GlcNAcylation on membranous N-glycans that are associated with the progression of cholangiocarcinoma (CCA). Global O-GlcNAcylation in CCA cells was depleted using specific siRNA against O-GlcNAc transferase (OGT), which transfers GlcNAc to the acceptor proteins...
June 18, 2018: Oncogene
https://www.readbyqxmd.com/read/29914506/use-of-mobile-technology-based-participatory-mapping-approaches-to-geolocate-health-facility-attendees-for-disease-surveillance-in-low-resource-settings
#6
Kimberly M Fornace, Henry Surendra, Tommy Rowel Abidin, Ralph Reyes, Maria L M Macalinao, Gillian Stresman, Jennifer Luchavez, Riris A Ahmad, Supargiyono Supargiyono, Fe Espino, Chris J Drakeley, Jackie Cook
BACKGROUND: Identifying fine-scale spatial patterns of disease is essential for effective disease control and elimination programmes. In low resource areas without formal addresses, novel strategies are needed to locate residences of individuals attending health facilities in order to efficiently map disease patterns. We aimed to assess the use of Android tablet-based applications containing high resolution maps to geolocate individual residences, whilst comparing the functionality, usability and cost of three software packages designed to collect spatial information...
June 18, 2018: International Journal of Health Geographics
https://www.readbyqxmd.com/read/29914381/a-qualitative-assessment-of-the-acceptability-of-hepatitis-c-remote-self-testing-and-self-sampling-amongst-people-who-use-drugs-in-london-uk
#7
Andy Guise, T Charles Witzel, Sema Mandal, Caroline Sabin, Tim Rhodes, Anthony Nardone, Magdalena Harris
BACKGROUND: Hepatitis C (HCV) diagnosis and care is a major challenge for people who use illicit drugs, and is characterised by low rates of testing and treatment engagement globally. New approaches to fostering engagement are needed. We explored the acceptability of remote forms of HCV testing including self-testing and self-sampling among people who use drugs in London, UK. METHODS: A qualitative rapid assessment was undertaken with people who use drugs and stakeholders in London, UK...
June 19, 2018: BMC Infectious Diseases
https://www.readbyqxmd.com/read/29913601/acute-response-of-soil-denitrification-and-n-2-o-emissions-to-chlorothalonil-a-comprehensive-molecular-mechanism
#8
Xuebin Hu, Yiyu Wang, Xiaoxuan Su, Yi Chen
The fungicide chlorothalonil (CHT) has been widely used in the tea orchard due to its high-efficiency and sterilization. It has been reported that repeated application of CHT inhibits soil nitrification process. However, the acute impact of CHT on soil denitrification and associated N2 O emissions is unclear. This study evaluated nitrate (NO3 - ) removal, denitrifying gene abundance and denitrifying enzyme activity of tea orchard soil after a 72-h-exposure to CHT. It was found that increasing CHT from 5 to 25 mg kg-1 suppressed the NO3 - removal efficiency from 74...
September 15, 2018: Science of the Total Environment
https://www.readbyqxmd.com/read/29912082/match-play-running-performance-and-exercise-intensity-in-elite-international-women-s-rugby-sevens
#9
Shane Malone, Marian Earls, Aidan Shovlin, Anthony Eddy, Nick Winkelman
Malone, S, Earls, M, Shovlin, A, Eddy, A, and Winkleman, N. Match-play running performance and exercise intensity in elite international women's rugby sevens. J Strength Cond Res XX(X): 000-000, 2018-The aim of the current investigation was to describe the running and physiological performance demands of elite women's rugby sevens match-play. Twenty-seven (n = 27) rugby seven's players (24.4 ± 2.1 years; 168 ± 7.1 cm; 67.9 ± 4.3 kg) were recruited for the current investigation. Across the observational period, 36 games were analyzed; during these games, players wore global positioning system technology (10-Hz, Statsports Viper Pod; STATSports, Newry, Northern Ireland, United Kingdom) and heart rate monitors (Polar Team System, Polar Electro Oy, Kempele, Finland)...
June 14, 2018: Journal of Strength and Conditioning Research
https://www.readbyqxmd.com/read/29912078/workloads-of-competitive-surfing-work-to-relief-ratios-surf-break-demands-and-updated-analysis
#10
Oliver R L Farley, Josh L Secomb, Ellen R Raymond, Lina E Lundgren, Brendon K Ferrier, Chris R Abbiss, Jeremy M Sheppard
Farley, ORL, Secomb, JL, Raymond, ER, Lundgren, LE, Ferrier, BK, Abbiss, CR, and Sheppard, JM. Workloads of competitive surfing: work-to-relief ratios, surf-break demands, and updated analysis. J Strength Cond Res XX(X): 000-000, 2018-The study provides an in-depth descriptive and quantitative time-motion analysis of competitive surfing, using Global Positioning System (GPS) units and video synchronization, which serves to extend upon the results of Farley, Harris, and Kilding (Journal of Strength and Conditioning Research, 26, 7 [2012])...
June 14, 2018: Journal of Strength and Conditioning Research
https://www.readbyqxmd.com/read/29911409/the-ottawa-panel-guidelines-on-programmes-involving-therapeutic-exercise-for-the-management-of-hand-osteoarthritis
#11
Lucie Brosseau, Odette Thevenot, Olivia MacKiddie, Jade Taki, George A Wells, Paulette Guitard, Guillaume Léonard, Nicole Paquet, Sibel Z Aydin, Karine Toupin-April, Sabrina Cavallo, Rikke Helene Moe, Kamran Shaikh, Wendy Gifford, Laurianne Loew, Gino De Angelis, Shirin Mehdi Shallwani, Ala' S Aburub, Aline Mizusaki Imoto, Prinon Rahman, Inmaculada C Álvarez Gallardo, Milkana Borges Cosic, Nina Østerås, Sabrina Lue, Tokiko Hamasaki, Nathaly Gaudreault, Tanveer E Towheed, Sahil Koppikar, Ingvild Kjeken, Dharini Mahendira, Glen P Kenny, Gail Paterson, Marie Westby, Lucie Laferrière, Guy Longchamp
OBJECTIVE: To identify programmes involving therapeutic exercise that are effective for the management of hand osteoarthritis and to provide stakeholders with updated, moderate to high-quality recommendations supporting exercises for hand osteoarthritis. METHODS: A systematic search and adapted selection criteria included comparable trials with exercise programmes for managing hand osteoarthritis. Based on the evaluated evidence, a panel of experts reached consensus through a Delphi approach endorsing the recommendations...
June 1, 2018: Clinical Rehabilitation
https://www.readbyqxmd.com/read/29908504/meris-observations-of-phytoplankton-phenology-in-the-baltic-sea
#12
Daoxi Zhang, Samantha Lavender, Jan-Peter Muller, David Walton, Xi Zou, Fang Shi
The historical data from the MEdium Resolution Imaging Spectrometer (MERIS) is an invaluable archive for studying global waters from inland lakes to open oceans. Although the MERIS sensor ceased to operate in April 2012, the data capacities are now re-established through the recently launched Sentinel-3 Ocean and Land Colour Instrument (OLCI). The development of a consistent time series for investigating phytoplankton phenology features is crucial if the potential of MERIS and OLCI data is to be fully exploited for inland water monitoring...
June 13, 2018: Science of the Total Environment
https://www.readbyqxmd.com/read/29908005/evaluation-of-the-who-laboratory-quality-stepwise-implementation-tool
#13
T A M Datema, K G Roper, S Cognat, M D Saad, L Oskam, V Dolmazon, M F M Engelberts, P Hessels, P R Klatser
OBJECTIVES: To introduce the Laboratory Quality Stepwise Implementation (LQSI) tool and provide data about its roll-out, usage and effectiveness in assisting laboratories with quality improvement. METHODS: The LQSI tool, a freely available stepwise guide, was developed by WHO to assist laboratories in efficiently implementing a quality management system. RESULTS: Since the tool's launch in 2014, it has been accessed by 116,431 unique users from 195 of 206 listed states...
June 15, 2018: Tropical Medicine & International Health: TM & IH
https://www.readbyqxmd.com/read/29907334/risk-and-benefits-of-bubble-continuous-positive-airway-pressure-for-neonatal-and-childhood-respiratory-diseases-in-low-and-middle-income-countries
#14
REVIEW
Osayame A Ekhaguere, Amsa B Mairami, Haresh Kirpalani
Over 80% of the global burden of childhood deaths occur in Low- and Middle-Income Countries (LMIC). Of the leading causes of death, respiratory failure is common to the top three. Bubble Continuous Positive Airway Pressure (bCPAP) is a standard therapy considered safe and cost effective in high resource settings. Although high-quality trials from LMIC are few, pooled available trial data considered alongside studies from high-income countries suggest that bCPAP: (i) reduces mortality; (ii) reduces the need for mechanical ventilation; and (iii) prevents extubation failure...
May 4, 2018: Paediatric Respiratory Reviews
https://www.readbyqxmd.com/read/29906291/a-real-time-medical-cartography-of-epidemic-disease-nodding-syndrome-using-village-based-lay-mhealth-reporters
#15
Raquel Valdes Angues, Austen Suits, Valerie S Palmer, Caesar Okot, Robert A Okot, Concy Atonywalo, Suzanne K Gazda, David L Kitara, Moka Lantum, Spencer S Peter
BACKGROUND: Disease surveillance in rural regions of many countries is poor, such that prolonged delays (months) may intervene between appearance of disease and its recognition by public health authorities. For infectious disorders, delayed recognition and intervention enables uncontrolled disease spread. We tested the feasibility in northern Uganda of developing real-time, village-based health surveillance of an epidemic of Nodding syndrome (NS) using software-programmed smartphones operated by minimally trained lay mHealth reporters...
June 15, 2018: PLoS Neglected Tropical Diseases
https://www.readbyqxmd.com/read/29904680/hydro-geometrical-data-analyses-of-river-atuwara-at-ado-odo-otta-ogun-state
#16
Adebanji S Ogbiye, Olumuyiwa O Onakunle, David O Omole
The dataset analyzed in this article contains spatial and temporal values of the hydro-geometric parameters of River Atuwara. The hydro-geometrical data analyses of various sampling point on River Atuwara was examined and their geometric properties were taken with the use of a paddled boat, depth meter and global positioning system (GPS). The co-ordinates, width, depth, slopes, area, velocity, flow were gotten in-situ while the area and wetted perimeter were computed ex-situ. The statistical relationships between separate variables were considered using scatter plots and regression line equations...
June 2018: Data in Brief
https://www.readbyqxmd.com/read/29901034/assessment-and-hydro-geochemical-characterization-for-evaluation-of-corrosion-and-scaling-potential-of-groundwater-in-south-west-delhi-india
#17
Sanigdha Acharya, S K Sharma, Vinita Khandegar
In the present study, hydro-geochemical characteristics of groundwater samples collected from South West Delhi, India, have been assessed. 50 sampling locations were recorded with the help of global positioning system, to assess the groundwater quality and evaluate the corrosion and scaling potential. Hydro-geochemical characterization for different parameters such as pH, temperature (T), electrical conductivity (EC), total dissolved solids (TDS), salinity (SA), total hardness (TH), total alkalinity ( <mml:math xmlns:mml="http://www...
June 2018: Data in Brief
https://www.readbyqxmd.com/read/29900332/assessment-of-job-satisfaction-of-group-of-nurses-in-ava-salamat-entrepreneurs-institute-in-iran
#18
Mohammad Mirzabeigi, Ali Fardi, H Raza Yousofi, Mahdi Norouzian, Mahdi Pariav, Saeid Lak, Majid Radfard, Abbas Ebadi
Global Health systems encounter increasing challenges, spread of health needs and economic constraints. Approximately, nurses are the major part of human resources working in health systems in all countries. Job dissatisfaction is one of the effective factors in nursing career exit. This study has been accomplished with purpose of determining nurses' job satisfaction in Ava Salamat Entrepreneurs Institute. This cross-sectional and descriptive research was performed in 2017. A random group of 533 nurses contributed in the study...
June 2018: Data in Brief
https://www.readbyqxmd.com/read/29899877/a-novel-role-of-metal-response-element-binding-transcription-factor-2-at-the-hox-gene-cluster-in-the-regulation-of-h3k27me3-by-polycomb-repressive-complex-2
#19
Abdul Aziz Khan, Seok-Jin Ham, Le Ngoc Yen, Haeng Lim Lee, Jounghyun Huh, Hyeongrin Jeon, Myoung Hee Kim, Tae-Young Roh
Polycomb repressive complex 2 (PRC2) is known to play an important role in the regulation of early embryonic development, differentiation, and cellular proliferation by introducing methyl groups onto lysine 27 of histone H3 (H3K27me3). PRC2 is tightly associated with silencing of Hox gene clusters and their sequential activation, leading to normal development and differentiation. To investigate epigenetic changes induced by PRC2 during differentiation, deposition of PRC2 components and levels of H3K27me3 were extensively examined using mouse F9 cells as a model system...
May 29, 2018: Oncotarget
https://www.readbyqxmd.com/read/29898727/factors-that-impact-access-to-ongoing-health-care-for-first-nation-children-with-a-chronic-condition
#20
Julieann Coombes, Kate Hunter, Tamara Mackean, Andrew J A Holland, Elizabeth Sullivan, Rebecca Ivers
BACKGROUND: Access to multidisciplinary health care services for First Nation children with a chronic condition is critical for the child's health and well-being, but disparities and inequality in health care systems have been almost impossible to eradicate for First Nation people globally. The objective of this review is to identify the factors that impact access and ongoing care for First Nation children globally with a chronic condition. METHODS: An extensive systematic search was conducted of nine electronic databases to identify primary studies that explored factors affecting access to ongoing services for First Nation children with a chronic disease or injury...
June 14, 2018: BMC Health Services Research
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