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https://www.readbyqxmd.com/read/28711048/beyond-mean-field-approximations-for-accurate-and-computationally-efficient-models-of-on-lattice-chemical-kinetics
#1
M Pineda, M Stamatakis
Modeling the kinetics of surface catalyzed reactions is essential for the design of reactors and chemical processes. The majority of microkinetic models employ mean-field approximations, which lead to an approximate description of catalytic kinetics by assuming spatially uncorrelated adsorbates. On the other hand, kinetic Monte Carlo (KMC) methods provide a discrete-space continuous-time stochastic formulation that enables an accurate treatment of spatial correlations in the adlayer, but at a significant computation cost...
July 14, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28691610/evidence-suggests-that-kangaroo-mother-care-improves-premature-infant-outcomes
#2
(no author information available yet)
The British Association of Perinatal Medicine ( 2016 ) has reported that 60,000-70,000 infants a year require neonatal intervention in the UK, or about 10% of all babies born in England. The World Health Organization ( 2015 ) found a 0% decrease in mortality rates in neonatal units worldwide through the adoption of KMC.
July 10, 2017: Nursing Children and Young People
https://www.readbyqxmd.com/read/28691609/kangaroo-care-for-low-birthweight-infants
#3
(no author information available yet)
Background Kangaroo mother care (KMC) is defined by the World Health Organization (WHO) as early, continuous and prolonged kin-to-skin contact between mother and baby.
July 10, 2017: Nursing Children and Young People
https://www.readbyqxmd.com/read/28650060/an-adaptive-bias-hybrid-md-kmc-algorithm-for-protein-folding-and-aggregation
#4
Emanuel K Peter, Joan-Emma Shea
In this paper, we present a novel hybrid Molecular Dynamics/kinetic Monte Carlo (MD/kMC) algorithm and apply it to protein folding and aggregation in explicit solvent. The new algorithm uses a dynamical definition of biases throughout the MD component of the simulation, normalized in relation to the unbiased forces. The algorithm guarantees sampling of the underlying ensemble in dependency of one average linear coupling factor 〈α〉τ. We test the validity of the kinetics in simulations of dialanine and compare dihedral transition kinetics with long-time MD-simulations...
June 26, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28592802/a-kinetic-monte-carlo-simulation-method-of-van-der-waals-epitaxy-for-atomistic-nucleation-growth-processes-of-transition-metal-dichalcogenides
#5
Yifan Nie, Chaoping Liang, Pil-Ryung Cha, Luigi Colombo, Robert M Wallace, Kyeongjae Cho
Controlled growth of crystalline solids is critical for device applications, and atomistic modeling methods have been developed for bulk crystalline solids. Kinetic Monte Carlo (KMC) simulation method provides detailed atomic scale processes during a solid growth over realistic time scales, but its application to the growth modeling of van der Waals (vdW) heterostructures has not yet been developed. Specifically, the growth of single-layered transition metal dichalcogenides (TMDs) is currently facing tremendous challenges, and a detailed understanding based on KMC simulations would provide critical guidance to enable controlled growth of vdW heterostructures...
June 7, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28592313/impact-of-community-initiated-kangaroo-mother-care-on-survival-of-low-birth-weight-infants-study-protocol-for-a-randomized-controlled-trial
#6
Sarmila Mazumder, Sunita Taneja, Suresh Kumar Dalpath, Rakesh Gupta, Brinda Dube, Bireshwar Sinha, Kiran Bhatia, Sachiyo Yoshida, Ole Frithjof Norheim, Rajiv Bahl, Halvor Sommerfelt, Nita Bhandari, Jose Martines
BACKGROUND: Around 70% neonatal deaths occur in low birth weight (LBW) babies. Globally, 15% of babies are born with LBW. Kangaroo Mother Care (KMC) appears to be an effective way to reduce mortality and morbidity among LBW babies. KMC comprises of early and continuous skin-to-skin contact between mother and baby as well as exclusive breastfeeding. Evidence derived from hospital-based studies shows that KMC results in a 40% relative reduction in mortality, a 58% relative reduction in the risk of nosocomial infections or sepsis, shorter hospital stay, and a lower risk of lower respiratory tract infections in babies with birth weight <2000 g...
June 7, 2017: Trials
https://www.readbyqxmd.com/read/28580906/modelling-the-evaporation-of-nanoparticle-suspensions-from-heterogeneous-surfaces
#7
Christopher Chalmers, Roger Smith, Andrew J Archer
We present a kinetic Monte Carlo (KMC) grid-based model for the drying of drops of a nanoparticle suspension upon a heterogeneous surface. The model consists of a generalised lattice-gas in which the interaction parameters in the Hamiltonian can be varied to model different properties of the materials involved. We show how to choose correctly the interactions, to minimise the effects of the underlying grid so that hemispherical droplets form. We also include the effects of surface roughness to examine the effects of contact-line pinning on the dynamics...
June 5, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28574014/community-based-kangaroo-mother-care-for-low-birth-weight-babies-a-pilot-study
#8
Reeta Rasaily, K K Ganguly, M Roy, S N Vani, N Kharood, R Kulkarni, S Chauhan, S Swain, L Kanugo
BACKGROUND & OBJECTIVES: Kangaroo mother care (KMC - early continuous skin-to-skin contact between mother and infants) has been recommended as an alternative care for low birth weight infants. There is limited evidence in our country on KMC initiated at home. The present study was undertaken to study acceptability of KMC in different community settings. METHODS: A community-based pilot study was carried out at three sites in the States of Odisha, Gujarat and Maharashtra covering rural, urban and rural tribal population, respectively...
January 2017: Indian Journal of Medical Research
https://www.readbyqxmd.com/read/28551890/-the-challenge-of-providing-high-standard-medical-services-in-a-public-hospital
#9
Shay Nathanson, Carlos Gruzman
Kaplan Medical Center (KMC) provides medical services to about 1 million Israeli citizens. The southern plain region is one of the leading areas in terms of population growth in Israel and as a result, the demand for medical services is constantly on the rise. The workload at KMC is tremendous; over 140,000 referrals to the emergency department with a 6% increase each year. Bed occupancy in the internal wards is above 120% on average per year (the highest in Israel) and ambulatory care referrals are rising at an overwhelming pace...
February 2017: Harefuah
https://www.readbyqxmd.com/read/28534272/braf-mutation-is-associated-with-an-improved-survival-in-glioma-a-systematic-review-and-meta-analysis
#10
REVIEW
Huy Gia Vuong, Ahmed M A Altibi, Uyen N P Duong, Hanh T T Ngo, Thong Quang Pham, Kar-Ming Fung, Lewis Hassell
Newly emerged molecular markers in gliomas provide prognostic values beyond the capabilities of histologic classification. BRAF mutation, especially BRAF V600E, is common in a subset of gliomas and may represent a potential prognostic marker. The aim of our study is to investigate the potential use of BRAF mutations on prognosis of glioma patients. Four electronic databases were searched for potential articles, including PubMed, Scopus, ISI Web of Science, and Virtual Health Library (VHL). Data of hazard ratio (HR) for overall survival (OS) and progression-free survival (PFS) were directly obtained from original papers or indirectly estimated from Kaplan Meier curve (KMC)...
May 22, 2017: Molecular Neurobiology
https://www.readbyqxmd.com/read/28520475/kombucha-multimicrobial-community-under-simulated-spaceflight-and-martian-conditions
#11
O Podolich, I Zaets, O Kukharenko, I Orlovska, O Reva, L Khirunenko, M Sosnin, A Haidak, S Shpylova, E Rabbow, M Skoryk, M Kremenskoy, R Demets, N Kozyrovska, J-P de Vera
Kombucha microbial community (KMC) produces a cellulose-based biopolymer of industrial importance and a probiotic beverage. KMC-derived cellulose-based pellicle film is known as a highly adaptive microbial macrocolony-a stratified community of prokaryotes and eukaryotes. In the framework of the multipurpose international astrobiological project "BIOlogy and Mars Experiment (BIOMEX)," which aims to study the vitality of prokaryotic and eukaryotic organisms and the stability of selected biomarkers in low Earth orbit and in a Mars-like environment, a cellulose polymer structural integrity will be assessed as a biomarker and biotechnological nanomaterial...
May 2017: Astrobiology
https://www.readbyqxmd.com/read/28520427/kinetic-monte-carlo-modeling-of-charge-carriers-in-organic-electronic-devices-suppression-of-the-self-interaction-error
#12
Haoyuan Li, Jean-Luc Brédas
Kinetic Monte Carlo (KMC) simulations have emerged as an important tool to help improve the efficiency of organic electronic devices by providing a better understanding of their device physics. In the KMC simulation of an organic device, the reliability of the results depends critically on the accuracy of the chosen charge-transfer rates, which are themselves strongly influenced by the site-energy differences. These site-energy differences include components coming from the electrostatic forces present in the system, which are often evaluated through electric potentials described by the Poisson equation...
May 22, 2017: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/28472236/kmc-3-counting-and-manipulating-k-mer-statistics
#13
Marek Kokot, Maciej Dlugosz, Sebastian Deorowicz
Summary: Counting all k -mers in a given dataset is a standard procedure in many bioinformatics applications. We introduce KMC3, a significant improvement of the former KMC2 algorithm together with KMC tools for manipulating k -mer databases. Usefulness of the tools is shown on a few real problems. Availability: Program is freely available at http://sun.aei.polsl.pl/REFRESH/kmc . Contact: sebastian.deorowicz@polsl.pl. Supplementary information: Supplementary data are available at Bioinformatics online...
May 4, 2017: Bioinformatics
https://www.readbyqxmd.com/read/28419957/arsenic-in-groundwater-of-the-kolkata-municipal-corporation-kmc-india-critical-review-and-modes-of-mitigation
#14
Dipankar Chakraborti, Bhaskar Das, Mohammad Mahmudur Rahman, Bishwajit Nayak, Arup Pal, Mrinal K Sengupta, Sad Ahamed, Md Amir Hossain, Uttam K Chowdhury, Bhajan Kumar Biswas, Khitish Chandra Saha, R N Dutta
This study represents the first comprehensive report of groundwater arsenic contamination status in the Kolkata Municipal Corporation (KMC). During the past 23 years, 4210 groundwater samples were analysed from all 141 wards in the KMC: 14.2% and 5.2% samples had arsenic >10 μg/l and >50 μg/l, respectively, representing 77 and 37 wards. The study shows that the number of arsenic contaminated samples (and wards) in the southern part of the KMC exceeds that of other parts of the city. The daily intake of arsenic from drinking water was estimated as 0...
April 15, 2017: Chemosphere
https://www.readbyqxmd.com/read/28274153/role-of-kangaroo-mother-care-in-growth-and-breast-feeding-rates-in-very-low-birth-weight-vlbw-neonates-a-systematic-review
#15
Deepak Sharma, Nazanin Farahbakhsh, Sweta Sharma, Pradeep Sharma, Akash Sharma
OBJECTIVE: To evaluate the role of kangaroo mother care (KMC) on growth and breast feeding rates in very low birth weight (VLBW) neonates. MATERIALS AND METHODS: A literature search was done to identify eligible studies using various electronic database searches including PubMed and EMBASE, various Web of Science including Scopus, Index Copernicus, African Index Medicus (AIM), Thomson Reuters (ESCI), Chemical Abstracts Service (CAS), SCIWIN (Scientific World Index), Google Scholar, Latin American and Caribbean Health Sciences Information System (LILACS), Index Medicus for the Eastern Mediterranean Region (IMEMR), Index Medicus for the South-East Asian Region (IMSEAR), and Western Pacific Region Index Medicus (WPRIM) and various clinical trial registries...
March 27, 2017: Journal of Maternal-fetal & Neonatal Medicine
https://www.readbyqxmd.com/read/28264615/maternal-perceptions-and-factors-affecting-kangaroo-mother-care-continuum-at-home-a-descriptive-study
#16
R Raajashri, B Adhisivam, B Vishnu Bhat, C Palanivel
OBJECTIVES: To estimate the proportion of mothers who continued to practice Kangaroo mother care (KMC) at home and evaluate potential factors influencing this practice. METHODS: This descriptive study was conducted in a tertiary care teaching hospital in south India. Mothers of preterm and low birth weight infants were trained in KMC during hospital stay. During follow up after 45 days, data regarding their perceptions and the practice of KMC at home and the factors influencing them were collected using questionnaires...
March 6, 2017: Journal of Maternal-fetal & Neonatal Medicine
https://www.readbyqxmd.com/read/28219937/a-meta-analysis-of-prognostic-roles-of-molecular-markers-in-papillary-thyroid-carcinoma
#17
REVIEW
Huy Gia Vuong, Uyen N P Duong, Ahmed M A Altibi, Hanh T T Ngo, Thong Quang Pham, Hung Minh Tran, Greta Gandolfi, Lewis Hassell
The prognostic role of molecular markers in papillary thyroid carcinoma (PTC) is a matter of ongoing debate. The aim of our study is to investigate the impact of RAS, BRAF, TERT promoter mutations and RET/PTC rearrangements on the prognosis of PTC patients. We performed a search in four electronic databases: PubMed, Scopus, Web of Science and Virtual Health Library (VHL). Data of hazard ratio (HR) and its 95% confidence interval (CI) for disease-specific survival (DSS) and disease-free survival (DFS) were directly obtained from original papers or indirectly estimated from Kaplan-Meier curve (KMC)...
April 2017: Endocrine Connections
https://www.readbyqxmd.com/read/28208965/long-term-outcomes-of-kangaroo-mother-care-in-very-low-birth-weight-infants
#18
Sunil Gavhane, Deepak Eklare, Haseeb Mohammad
INTRODUCTION: Kangaroo Mother Care (KMC) has been gaining acceptance as an effective alternative to incubator based Conventional Medical Care (CMC) in preterm or Low Birth Weight (LBW) infants especially in resource scarce developing countries. AIM: To report and analyse the long-term effects of KMC for relatively stable Very Low Birth Weight (VLBW) infants on nutritional indicators and feeding conditions at 6-12 months of corrected age. MATERIALS AND METHODS: This randomized controlled trial was done at a Level III Neonatal Intensive Care Unit (NICU) of a teaching institution in southern India...
December 2016: Journal of Clinical and Diagnostic Research: JCDR
https://www.readbyqxmd.com/read/28195719/generalized-temporal-acceleration-scheme-for-kinetic-monte-carlo-simulations-of-surface-catalytic-processes-by-scaling-the-rates-of-fast-reactions
#19
Eric C Dybeck, Craig P Plaisance, Matthew Neurock
A novel algorithm is presented that achieves temporal acceleration during kinetic Monte Carlo (KMC) simulations of surface catalytic processes. This algorithm allows for the direct simulation of reaction networks containing kinetic processes occurring on vastly disparate time scales which computationally overburden standard KMC methods. Previously developed methods for temporal acceleration in KMC were designed for specific systems and often require a priori information from the user such as identifying the fast and slow processes...
March 28, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28152330/randomized-controlled-trial-on-effect-of-intermittent-early-versus-late-kangaroo-mother-care-on-human-milk-feeding-in-low-birth-weight-neonates
#20
Dhaarani Jayaraman, Kanya Mukhopadhyay, Anil Kumar Bhalla, Lakhbir Kaur Dhaliwal
BACKGROUND: Breastfeeding at discharge among sick low-birth-weight (LBW) infants is low despite counseling and intervention like kangaroo mother care (KMC). Research aim: The aim was to study the effects of early initiation of KMC on exclusive human milk feeding, growth, mortality, and morbidities in LBW neonates compared with late initiation of KMC during the hospital stay and postdischarge. METHODS: A randomized controlled trial was conducted in level 2 and 3 areas of a tertiary care neonatal unit over 15 months...
August 2017: Journal of Human Lactation: Official Journal of International Lactation Consultant Association
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