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https://www.readbyqxmd.com/read/28225134/phase-behaviour-and-gravity-directed-self-assembly-of-hard-convex-spherical-caps
#1
John M McBride, Carlos Avendaño
We investigate the phase behaviour and self-assembly of convex spherical caps using Monte Carlo simulations. This model is used to represent the main features observed in experimental colloidal particles with mushroom-cap shape [Riley et al., Langmuir, 2010, 26, 1648]. The geometry of this non-centrosymmetric convex model is fully characterized by the aspect ratio χ* defined as the spherical cap height to diameter ratio. We use NPT Monte Carlo simulations combined with free energy calculations to determine the most stable crystal structures and the phase behaviour of convex spherical caps with different aspect ratios...
February 22, 2017: Soft Matter
https://www.readbyqxmd.com/read/28222736/implementing-guidelines-and-training-initiatives-to-improve-cross-cultural-communication-in-primary-care-consultations-a-qualitative-participatory-european-study
#2
E Teunissen, K Gravenhorst, C Dowrick, E Van Weel-Baumgarten, F Van den Driessen Mareeuw, T de Brún, N Burns, C Lionis, F S Mair, C O'Donnell, M O'Reilly-de Brún, M Papadakaki, A Saridaki, W Spiegel, C Van Weel, M Van den Muijsenbergh, A MacFarlane
BACKGROUND: Cross-cultural communication in primary care is often difficult, leading to unsatisfactory, substandard care. Supportive evidence-based guidelines and training initiatives (G/TIs) exist to enhance cross cultural communication but their use in practice is sporadic. The objective of this paper is to elucidate how migrants and other stakeholders can adapt, introduce and evaluate such G/TIs in daily clinical practice. METHODS: We undertook linked qualitative case studies to implement G/TIs focused on enhancing cross cultural communication in primary care, in five European countries...
February 10, 2017: International Journal for Equity in Health
https://www.readbyqxmd.com/read/28209558/readiness-for-delivering-digital-health-at-scale-lessons-from-a-longitudinal-qualitative-evaluation-of-a-national-digital-health-innovation-program-in-the-united-kingdom
#3
Marilyn R Lennon, Matt-Mouley Bouamrane, Alison M Devlin, Siobhan O'Connor, Catherine O'Donnell, Ula Chetty, Ruth Agbakoba, Annemieke Bikker, Eleanor Grieve, Tracy Finch, Nicholas Watson, Sally Wyke, Frances S Mair
BACKGROUND: Digital health has the potential to support care delivery for chronic illness. Despite positive evidence from localized implementations, new technologies have proven slow to become accepted, integrated, and routinized at scale. OBJECTIVE: The aim of our study was to examine barriers and facilitators to implementation of digital health at scale through the evaluation of a £37m national digital health program: ‟Delivering Assisted Living Lifestyles at Scale" (dallas) from 2012-2015...
February 16, 2017: Journal of Medical Internet Research
https://www.readbyqxmd.com/read/28205520/cationic-amino-acid-transporters-play-key-roles-in-the-survival-and-transmission-of-apicomplexan-parasites
#4
Esther Rajendran, Sanduni V Hapuarachchi, Catherine M Miller, Stephen J Fairweather, Yeping Cai, Nicholas C Smith, Ian A Cockburn, Stefan Bröer, Kiaran Kirk, Giel G van Dooren
Apicomplexans are obligate intracellular parasites that scavenge essential nutrients from their hosts via transporter proteins on their plasma membrane. The identities of the transporters that mediate amino acid uptake into apicomplexans are unknown. Here we demonstrate that members of an apicomplexan-specific protein family-the Novel Putative Transporters (NPTs)-play key roles in the uptake of cationic amino acids. We show that an NPT from Toxoplasma gondii (TgNPT1) is a selective arginine transporter that is essential for parasite survival and virulence...
February 16, 2017: Nature Communications
https://www.readbyqxmd.com/read/28199103/using-the-k-d-tree-data-structure-to-accelerate-monte-carlo-simulations
#5
Qile Paul Chen, Bai Xue, J Ilja Siepmann
The k-d tree data structure is implemented in a Monte Carlo (MC) molecular simulation program to accelerate the range search for particles or interaction sites within the cutoff distance when Lennard-Jones and Coulomb interactions are computed. MC simulations are performed for different molecules in various ensembles to assess the efficiency enhancements due to the k-d tree data structure. It is found that the use of k-d trees accelerates significantly simulations for Lennard-Jones particles in the NVT and NVT-Gibbs ensembles and for n-butane and 2,4,6,8,10,12,14,16,18,20,22-undecamethylpentacosane represented by the TraPPE-UA force field in the NpT ensemble...
February 15, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28174514/associations-among-cognitive-functions-plasma-dna-and-white-matter-integrity-in-patients-with-early-onset-parkinson-s-disease
#6
Yueh-Sheng Chen, Meng-Hsiang Chen, Cheng-Hsien Lu, Pei-Chin Chen, Hsiu-Ling Chen, I-Hsiao Yang, Nai-Wen Tsai, Wei-Che Lin
Early-onset Parkinson's disease (EOPD) patients are symptomatic at a relatively young age, and the impacts of the disease on both the patients and their caregivers are dramatic. Few studies have reported on the cognitive impairments seen in EOPD, and the results of these studies have been diverse. Furthermore, it is still unclear what microstructural white matter (WM) changes are present in EOPD patients. As such, we conducted this study to investigate the microstructural WM changes experienced by EOPD patients and their association with cognitive function and plasma DNA levels...
2017: Frontiers in Neuroscience
https://www.readbyqxmd.com/read/28170260/efficient-conformational-search-based-on-structural-dissimilarity-sampling-applications-for-reproducing-structural-transitions-of-proteins
#7
Ryuhei Harada, Yasuteru Shigeta
Structural Dissimilarity Sampling (SDS) is proposed as an efficient conformational search method to promote structural transitions essential for the biological functions of proteins. In SDS, initial structures are selected based on structural dissimilarity, and conformational resampling is repeated. Conformational resampling is performed as follows: (I) arrangement of initial structures for a diverse distribution at the edge of a conformational subspace, and (II) promotion of the structural transitions with multiple short-time molecular dynamics (MD) simulations restarting from the diversely distributed initial structures...
February 7, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28163595/identification-of-a-low-tiller-gene-from-a-new-plant-type-cultivar-in-rice-oryza-sativa-l
#8
Md Nashir Uddin, Asami Tomita, Mitsuhiro Obara, Seiji Yanagihara, Yoshimichi Fukuta
We characterized a rice introgression line, YTH34, harboring a chromosome segment from a New Plant Type (NPT) cultivar, IR65600-87-2-2-3, in the genetic background of an Indica Group elite rice cultivar, IR 64, under upland and irrigated lowland conditions in Japan. The number of panicles (as an indicator of tiller number) and number of spikelets per panicle of YTH34 were lower than those of IR 64 under irrigated lowland conditions, but both of those as well as culm length, panicle length, seed fertility, panicle weight, whole plant weight, and harvest index were dramatically reduced under upland conditions...
December 2016: Breeding Science
https://www.readbyqxmd.com/read/28122331/integrative-mirna-and-mrna-analysis-in-penile-carcinomas-reveals-markers-and-pathways-with-potential-clinical-impact
#9
Hellen Kuasne, Mateus C Barros-Filho, Ariane Busso-Lopes, Fábio A Marchi, Maisa Pinheiro, Juan J M Muñoz, Cristovam Scapulatempo-Neto, Eliney F Faria, Gustavo C Guimarães, Ademar Lopes, José C S Trindade-Filho, Maria Aparecida C Domingues, Sandra A Drigo, Silvia R Rogatto
Penile carcinoma (PeCa) is an important public health issue in poor and developing countries, and has only recently been explored in terms of genetic and epigenetic studies. Integrative data analysis is a powerful method for the identification of molecular drivers involved in cancer development and progression. miRNA and mRNA expression profiles followed by integrative analysis were investigated in 23 PeCa and 12 non-neoplastic penile tissues (NPT). Expression levels of eight miRNAs and 10 mRNAs were evaluated in the same set of samples used for microarray and in a validation set of cases (PeCa = 36; NPT = 27)...
January 21, 2017: Oncotarget
https://www.readbyqxmd.com/read/28120533/comparative-binding-to-dr4-and-dr5-receptors-of-trail-and-bnnts-pahe-mpeg-dspe-trail-nanoparticles
#10
Yves Claude Guillaume, Claire André
TRAIL is a member of the tumor necrosis factor family of cytokines, which induces apoptosis of cancer cells, thanks to its binding to its cognate receptors DR5 and DR4. We have recently demonstrated that nanovectorization of TRAIL with single-walled carbon nanotubes enhanced TRAIL affinity to DR5. In this paper, 1-pyrenebutyric acid N-hydroxysuccinimide ester functionalized boron nitride nanotubes (BNNTs) were used to anchor the TRAIL protein. The resulting BNNT/1-pyrenebutyric acid N-hydroxysuccinimide ester nanotubes were mixed with methoxy-poly(ethylene glycol)-1,2-distearoyl-sn-glycero-3-phosphoethanolamine-N-conjugates so as to allow a good dispersion of these nanoparticle TRAIL (NPT) in aqueous solution...
January 25, 2017: Journal of Molecular Recognition: JMR
https://www.readbyqxmd.com/read/28116227/the-effectiveness-of-negative-pressure-therapy-in-diabetic-foot-ulcers-with-elevated-protease-activity-a-case-series
#11
Valentina Izzo, Marco Meloni, Laura Giurato, Valeria Ruotolo, Luigi Uccioli
Objective: Despite several works have described the usefulness of negative pressure therapy (NPT) in the treatment of diabetic foot ulcers (DFUs), no studies have reported its ability in the proteases modulation in DFUs. The aim of this work was to evaluate the role of NPT as a protease-modulating treatment in DFUs. Approach: We conducted a prospective study of a series of diabetic patients affected by chronic DFUs. Each ulcer was assessed for matrix metalloproteinases (MMPs) activity with a protease status diagnostic test at the baseline and after 2 weeks of NPT...
January 1, 2017: Advances in Wound Care
https://www.readbyqxmd.com/read/28113447/implementing-kernel-methods-incrementally-by-incremental-nonlinear-projection-trick
#12
Nojun Kwak
Recently, the nonlinear projection trick (NPT) was introduced enabling direct computation of coordinates of samples in a reproducing kernel Hilbert space. With NPT, any machine learning algorithm can be extended to a kernel version without relying on the so called kernel trick. However, NPT is inherently difficult to be implemented incrementally because an ever increasing kernel matrix should be treated as additional training samples are introduced. In this paper, an incremental version of the NPT (INPT) is proposed based on the observation that the centerization step in NPT is unnecessary...
May 20, 2016: IEEE Transactions on Cybernetics
https://www.readbyqxmd.com/read/28106256/evaluation-of-atomic-pressure-in-the-multiple-time-step-integration-algorithm
#13
Yoshimichi Andoh, Noriyuki Yoshii, Atsushi Yamada, Susumu Okazaki
In molecular dynamics (MD) calculations, reduction in calculation time per MD loop is essential. A multiple time-step (MTS) integration algorithm, the RESPA (Tuckerman and Berne, J. Chem. Phys. 1992, 97, 1990-2001), enables reductions in calculation time by decreasing the frequency of time-consuming long-range interaction calculations. However, the RESPA MTS algorithm involves uncertainties in evaluating the atomic interaction-based pressure (i.e., atomic pressure) of systems with and without holonomic constraints...
January 20, 2017: Journal of Computational Chemistry
https://www.readbyqxmd.com/read/28103848/the-crisp-colorectal-cancer-risk-prediction-tool-an-exploratory-study-using-simulated-consultations-in-australian-primary-care
#14
Jennifer G Walker, Adrian Bickerstaffe, Nadira Hewabandu, Sanjay Maddumarachchi, James G Dowty, Mark Jenkins, Marie Pirotta, Fiona M Walter, Jon D Emery
BACKGROUND: In Australia, screening for colorectal cancer (CRC) with colonoscopy is meant to be reserved for people at increased risk, however, currently there is a mismatch between individuals' risk of CRC and the type of CRC screening they receive. This paper describes the development and optimisation of a Colorectal cancer RISk Prediction tool ('CRISP') for use in primary care. The aim of the CRISP tool is to increase risk-appropriate CRC screening. METHODS: CRISP development was informed by previous experience with developing risk tools for use in primary care and a systematic review of the evidence...
January 19, 2017: BMC Medical Informatics and Decision Making
https://www.readbyqxmd.com/read/28069073/quantification-of-postural-stability-in-minimally-disabled-multiple-sclerosis-patients-by-means-of-dynamic-posturography-an-observational-study
#15
Lucia Grassi, Stefano Rossi, Valeria Studer, Gessica Vasco, Caterina Motta, Fabrizio Patanè, Enrico Castelli, Silvia Rossi, Paolo Cappa
BACKGROUND: Multiple Sclerosis (MS) is a widespread progressive neurologic disease with consequent impairments in daily activities. Disorders of balance are frequent and equilibrium tests are potentially useful to quantify disability and to verify treatment effectiveness. The fair sensitivity of the widely used not-perturbed tests to detect balance disturbances in MS patients have prompted the development of mechatronic systems capable to impose known equilibrium perturbations, in order to challenge the balance control and, consequently, to better assess the level of impairment...
January 10, 2017: Journal of Neuroengineering and Rehabilitation
https://www.readbyqxmd.com/read/28066966/updating-neuropsychological-test-system-for-the-elderly-and-modern-touch-screen-tablet-society-by-resetting-of-the-cut-off-values
#16
Takumi Kawaguchi, Mika Konishi, Akinobu Kato, Motoichiro Kato, Yohei Kooka, Kei Sawara, Ryujin Endo, Takuji Torimura, Kazuyuki Suzuki, Yasuhiro Takikawa
BACKGROUND & AIMS: Covert hepatic encephalopathy (CHE) is frequently seen in cirrhotic patients. CHE can be diagnosed by a computerized neuropsychological test system (NPT); however, NPT has not been updated about two decades in Japan. The aim of this study is to update the NPT for fitting the elderly and modern society by resetting of the cut-off values. METHODS: We enrolled 367 healthy subjects with 40 to 79 years old between 2003 and 2010. NPT consist of following 8 tests: number connection tests A and B, a figure position test, a digit symbol test, a block design test, and reaction time test A, B, and C...
January 8, 2017: Hepatology Research: the Official Journal of the Japan Society of Hepatology
https://www.readbyqxmd.com/read/28061781/exploring-the-implementation-of-an-electronic-record-into-a-maternity-unit-a-qualitative-study-using-normalisation-process-theory
#17
Arabella Scantlebury, Laura Sheard, Ian Watt, Paul Cairns, John Wright, Joy Adamson
BACKGROUND: To explore the benefits, barriers and disadvantages of implementing an electronic record system (ERS). The extent that the system has become 'normalised' into routine practice was also explored. METHODS: Qualitative semi-structured interviews were conducted with 19 members of NHS staff who represented a variety of staff groups (doctors, midwives of different grades, health care assistants) and wards within a maternity unit at a NHS teaching hospital...
January 7, 2017: BMC Medical Informatics and Decision Making
https://www.readbyqxmd.com/read/28031028/enablers-and-barriers-to-implementing-collaborative-care-for-anxiety-and-depression-a-systematic-qualitative-review
#18
REVIEW
Gritt Overbeck, Annette Sofie Davidsen, Marius Brostrøm Kousgaard
BACKGROUND: Collaborative care is an increasingly popular approach for improving quality of care for people with mental health problems through an intensified and structured collaboration between primary care providers and health professionals with specialized psychiatric expertise. Trials have shown significant positive effects for patients suffering from depression, but since collaborative care is a complex intervention, it is important to understand the factors which affect its implementation...
December 28, 2016: Implementation Science: IS
https://www.readbyqxmd.com/read/28012361/how-are-we-assessing-near-peer-teaching-in-undergraduate-health-professional-education-a-systematic-review
#19
REVIEW
Susan Irvine, Brett Williams, Lisa McKenna
BACKGROUND: Near Peer teaching (NPT) is reported as an effective pedagogical approach to student learning and performance. Studies in medicine, nursing and health sciences have relied mainly on self-reports to describe its benefits, focusing on psychomotor and cognitive aspects of learning. Despite increasing research reports on peer teaching internationally, little is known about the various domains of learning used in assessment of performance and objective learning outcomes of NPT...
December 16, 2016: Nurse Education Today
https://www.readbyqxmd.com/read/27992712/usefulness-of-allerkin-house-dust-mite-extract-for-nasal-provocation-testing
#20
Kyu-Sung Kim, Tae Young Jang, Young Hyo Kim
Objectives: We evaluated the clinical usefulness of Allerkin (Lofarma) for nasal provocation testing (NPT) in patients with rhinitis symptoms, by examining changes in nasal symptoms and acoustic parameters after exposure to house dust mite (HDM) extract. Methods: Twenty patients (16 males and 4 females, mean age: 29.6±14.6 years) were enrolled. We performed skin prick test (SPT) before and 15 and 30 minutes after intranasal challenge with Allerkin HDM extract, and we evaluated symptom changes (nasal obstruction, rhinorrhea, sneezing, and itching) using a visual analogue scale...
December 20, 2016: Clinical and Experimental Otorhinolaryngology
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