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https://www.readbyqxmd.com/read/28820938/multi-scale-simulation-of-receptor-drug-association-kinetics-application-to-neuramidase-inhibitors
#1
Fabian Zeller, Manuel P Luitz, Rainer Bomblies, Martin Zacharias
A detailed understanding of the drug-receptor association process is of fundamental importance for drug design. Due to the long timescales of typical binding kinetics, the atomistic simulation of the ligand traveling from bulk solution into the binding site is still computationally challenging. In this work, we apply a multi-scale approach of combined molecular dynamics (MD) and Brownian dynamics (BD) simulations to investigate association pathway ensembles for the two prominent H1N1 neuraminidase inhibitors oseltamivir and zanamivir...
August 18, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28819670/mimicking-wettability-alterations-using-temperature-gradients-for-water-nanodroplets
#2
Chirodeep Bakli, Sree Hari P D, Suman Chakraborty
A sessile droplet or a film usually moves from hotter regions to colder regions, due to variations in interfacial tension. This, known as the so-called Marangoni effect, is true for most pure liquids like water for which the surface tension decreases with an increase in temperature. In stark contrast to this existing understanding, we bring forth the coupled effect of wettability and temperature gradients on the dynamics of the three-phase contact line. By simultaneously tracking the dynamic evolution of the three-phase contact line due to the evaporation and diffusion of molecules through molecular dynamics simulations, we explore the coterminous effects of the change of surface tension coefficients and wetting parameters with temperature on sessile droplets residing on surfaces with different wettabilities...
August 18, 2017: Nanoscale
https://www.readbyqxmd.com/read/28819540/use-of-global-initiative-for-asthma-gina-guidelines-in-asthma-management-among-paediatric-residents-in-a-sub-saharan-african-country-a-cross-sectional-descriptive-study
#3
Adaeze Chikaodinaka Ayuk, Agozie Ubesie, Chioma Laura Odimegwu, Kenechukwu Iloh
INTRODUCTION: Clinical practice guidelines are systematically developed statements to assist practitioner and patient decisions about appropriate health care for specific clinical circumstances. Despite abundance of asthma guidelines, prevalence has continued to increase globally. There is need to assess how the contents of asthma guidelines are put to clinical use by doctors in the management of children with asthma. This study aims at evaluating the clinical practice of paediatric residents in applying GINA guidelines...
2017: Pan African Medical Journal
https://www.readbyqxmd.com/read/28818564/validity-of-a-smartphone-protractor-to-measure-sagittal-parameters-in-adult-spinal-deformity
#4
William Aaron Kunkle, Michael Madden, Shannon Potts, Jeremy Fogelson, Stuart Hershman
BACKGROUND CONTEXT: Smartphones have become an integral tool in the daily life of healthcare professionals (Franko 2011). Their ease of use and wide availability often make smartphones the first tool surgeons use to perform measurements. This technique has been validated for certain orthopaedic pathologies (Shaw 2012, Quek 2014, Milanese 2014, Milani 2014), but never to assess sagittal parameters in adult spinal deformity. This study was designed to assess the validity, reproducibility, precision and efficiency of using a smartphone protractor application to measure sagittal parameters commonly measured in adult spinal deformity assessment and surgical planning...
August 14, 2017: Spine Journal: Official Journal of the North American Spine Society
https://www.readbyqxmd.com/read/28817304/medical-education-and-leadership-in-breastfeeding-medicine
#5
Julie Scott Taylor, Esther Bell
Physicians' experience with high quality training in breastfeeding during their medical education is historically varied. The process of becoming a board-certified physician entails more than 20 years of education, and although medical school and residency training timelines and courses are relatively standardized across the United States and even internationally, breastfeeding education varies greatly across schools and programs. The Academy of Breastfeeding Medicine (ABM) exists, in part, because historically, physicians have received too little clinical training in breastfeeding and infant nutrition...
August 17, 2017: Breastfeeding Medicine: the Official Journal of the Academy of Breastfeeding Medicine
https://www.readbyqxmd.com/read/28816460/coexistence-of-pinning-and-moving-on-a-contact-line
#6
Zhengmao Lu, Daniel John Preston, Dion S Antao, Yangying Zhu, Evelyn N Wang
Textured surfaces are instrumental in water repellency or fluid wicking applications, where the pinning and depinning of the liquid-gas interface plays an important role. Previous work showed that a contact line can exhibit non-uniform behavior due to heterogeneities in surface chemistry or roughness. Here, we demonstrate that such non-uniformities can be achieved even without varying the local energy barrier. Around a cylindrical pillar, an interface can reside in an intermediate state where segments of the contact line are pinned to the pillar top while the rest of the contact line moves along the sidewall...
August 17, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28805415/actualizing-culture-change-the-promoting-excellent-alternatives-in-kansas-nursing-homes-peak-2-0-program
#7
Gayle A Doll, Laci J Cornelison, Heath Rath, Maggie L Syme
Nursing homes have been challenged in their attempts to achieve deep, organizational change (i.e., culture change) aimed at providing quality of care and quality of life for nursing home residents through person-centered care. To attain deep change, 2 well-defined components must be in place: a shared understanding of (a) the what, or content goals, and (b) the how, or process of change. However, there are few examples of this at a macro or micro level in long-term care. In an effort to enact true culture change in nursing homes statewide, the Kansas Department for Aging and Disability Services implemented the Promoting Excellent Alternatives in Kansas Nursing Homes program...
August 2017: Psychological Services
https://www.readbyqxmd.com/read/28803630/evaluation-of-the-training-capacity-of-the-spanish-resident-book-of-otolaryngology-formir-as-an-electronic-portfolio
#8
Juan Manuel Maza Solano, Gustavo Benavente Bermudo, Francisco José Estrada Molina, Jesús Ambrosiani Fernández, Serafín Sánchez Gómez
BACKGROUND: and objectives We have evaluated the training capacity of the Spanish resident training book as an electronic portfolio to achieve the learning objectives of otorhinolaryngology (ENT) residents. METHODS: A multi-method qualitative investigation with transversal characteristics, temporal and retrospective guidance was performed on Spanish ENT residents using a structured questionnaire, a semi-structured interview, and a computer application on the FORMIR website...
August 10, 2017: Acta Otorrinolaringológica Española
https://www.readbyqxmd.com/read/28801082/-how-to-videos-improve-residents-performance-of-essential-perioperative-electronic-medical-records-and-clinical-tasks
#9
Veronica Zoghbi, Robert C Caskey, Kristoffel R Dumon, Jacqueline M Soegaard Ballester, Ari D Brooks, Jon B Morris, Daniel T Dempsey
OBJECTIVE: The ability to use electronic medical records (EMR) is an essential skill for surgical residents. However, frustration and anxiety surrounding EMR tasks may detract from clinical performance. We created a series of brief, 1-3 minutes "how to" videos demonstrating 7 key perioperative EMR tasks: booking OR cases, placing preprocedure orders, ordering negative-pressure wound dressing supplies, updating day-of-surgery history and physical notes, writing brief operative notes, discharging patients from the postanesthesia care unit, and checking vital signs...
August 8, 2017: Journal of Surgical Education
https://www.readbyqxmd.com/read/28799757/immobilization-of-growth-factors-to-collagen-surfaces-using-visible-light
#10
Gabriella Maria Fernandes Cunha, Hyun Jong Lee, Alisha Kumar, Alexander Kreymerman, Sarah Christine Heilshorn, David Myung
In the treatment of traumatic injuries, burns, and ulcers of the eye, inadequate epithelial tissue healing remains a major challenge. Wound healing is a complex process involving the temporal and spatial interplay between cells and their extracellular milieu. It can be impaired by a variety of causes including infection, poor circulation, loss of critical cells and/or proteins, and a deficiency in normal neural signaling (e.g. neurotrophic ulcers). Ocular anatomy is particularly vulnerable to lasting morbidity from delayed healing, whether it be scarring or perforation of the cornea, destruction of the conjunctival mucous membrane, or cicatricial changes to the eyelids and surrounding skin...
August 11, 2017: Biomacromolecules
https://www.readbyqxmd.com/read/28794664/initial-construct-validity-evidence-of-a-virtual-human-application-for-competency-assessment-in-breaking-bad-news-to-a-cancer-patient
#11
Timothy C Guetterman, Frederick W Kron, Toby C Campbell, Mark W Scerbo, Amy B Zelenski, James F Cleary, Michael D Fetters
BACKGROUND: Despite interest in using virtual humans (VHs) for assessing health care communication, evidence of validity is limited. We evaluated the validity of a VH application, MPathic-VR, for assessing performance-based competence in breaking bad news (BBN) to a VH patient. METHODS: We used a two-group quasi-experimental design, with residents participating in a 3-hour seminar on BBN. Group A (n=15) completed the VH simulation before and after the seminar, and Group B (n=12) completed the VH simulation only after the BBN seminar to avoid the possibility that testing alone affected performance...
2017: Advances in Medical Education and Practice
https://www.readbyqxmd.com/read/28794264/liquid-phase-electron-microscopy-of-molecular-drug-response-in-breast-cancer-cells-reveals-irresponsive-cell-subpopulations-related-to-lack-of-her2-homodimers
#12
Diana B Peckys, Ulrike Korf, Stefan Wiemann, Niels de Jonge
The development of drug resistance in cancer poses a major clinical problem. An example is human epidermal growth factor receptor 2 (HER2) overexpressing breast cancer often treated with anti-HER2 antibody therapies, such as trastuzumab. Since drug resistance is rooted mainly in tumor cell heterogeneity, we examined the drug effect in different subpopulations of SKBR3 breast cancer cells, and compared the results with a drug resistant cell line, HCC1954. Correlative light microscopy and liquid-phase scanning transmission electron microscopy (STEM) were used to quantitatively analyze HER2 responses upon drug binding, whereby many tens of whole cells were imaged...
August 9, 2017: Molecular Biology of the Cell
https://www.readbyqxmd.com/read/28793099/factors-associated-with-the-functional-capacity-of-older-adults-with-leprosy
#13
Paula Sacha Frota Nogueira, Marilia Braga Marques, Janaina Fonseca Victor Coutinho, Juliana Cunha Maia, Maria Josefina da Silva, Escolástica Rejane Ferreira Moura
Objective: to investigate the association between socio-demographic and clinical factors and the functional capacity of older adults with leprosy. Method: cross-sectional analytical study conducted in Fortaleza, Ceará, Brazil, with 77 older adult patients with leprosy in a referral service, through interview, medical records and application of the Katz Index and the Lawton and Brody Scale. Results: the mean age was 68.23 years, with prevalence of men, in stable union/married, with mean monthly family income of 2...
July 2017: Revista Brasileira de Enfermagem
https://www.readbyqxmd.com/read/28792940/differences-in-words-used-to-describe-racial-and-gender-groups-in-medical-student-performance-evaluations
#14
David A Ross, Dowin Boatright, Marcella Nunez-Smith, Ayana Jordan, Adam Chekroud, Edward Z Moore
PURPOSE: The transition from medical school to residency is a critical step in the careers of physicians. Because of the standardized application process-wherein schools submit summative Medical Student Performance Evaluations (MSPE's)-it also represents a unique opportunity to assess the possible prevalence of racial and gender disparities, as shown elsewhere in medicine. METHOD: The authors conducted textual analysis of MSPE's from 6,000 US students applying to 16 residency programs at a single institution in 2014-15...
2017: PloS One
https://www.readbyqxmd.com/read/28782725/the-bio-in-the-ink-cartilage-regeneration-with-bioprintable-hydrogels-and-articular-cartilage-derived-progenitor-cells
#15
Riccardo Levato, William R Webb, Iris A Otto, Anneloes Mensinga, Yadan Zhang, Mattie van Rijen, René van Weeren, Ilyas M Khan, Jos Malda
Cell-laden hydrogels are the primary building blocks for bioprinting, and, also termed bioinks, are the foundations for creating structures that can potentially recapitulate the architecture of articular cartilage. To be functional, hydrogel constructs need to unlock the regenerative capacity of encapsulated cells. The recent identification of multipotent articular cartilage-resident chondroprogenitor cells (ACPCs), which share important traits with adult stem cells, represents a new opportunity for cartilage regeneration...
August 4, 2017: Acta Biomaterialia
https://www.readbyqxmd.com/read/28782025/observation-of-ultralong-valley-lifetime-in-wse2-mos2-heterostructures
#16
Jonghwan Kim, Chenhao Jin, Bin Chen, Hui Cai, Tao Zhao, Puiyee Lee, Salman Kahn, Kenji Watanabe, Takashi Taniguchi, Sefaattin Tongay, Michael F Crommie, Feng Wang
The valley degree of freedom in two-dimensional (2D) crystals recently emerged as a novel information carrier in addition to spin and charge. The intrinsic valley lifetime in 2D transition metal dichalcogenides (TMD) is expected to be markedly long due to the unique spin-valley locking behavior, where the intervalley scattering of the electron simultaneously requires a large momentum transfer to the opposite valley and a flip of the electron spin. However, the experimentally observed valley lifetime in 2D TMDs has been limited to tens of nanoseconds thus far...
July 2017: Science Advances
https://www.readbyqxmd.com/read/28780339/the-silanol-content-and-in-vitro-cytolytic-activity-of-flame-made-silica
#17
Anastasia Spyrogianni, Inge K Herrmann, Kerda Keevend, Sotiris E Pratsinis, Karsten Wegner
HYPOTHESIS: The surface chemistry of synthetic amorphous silicas is essential for their applicational performance and for understanding their interactions with biological matter. Synthesis of silica by flame spray pyrolysis (FSP) allows to control the content and type of hydroxyl groups which also affects the cytolytic activity. EXPERIMENTS: By controlling the FSP process variables, silica nanoparticles with the same specific surface area but different surface chemistry and content of internal silanols are prepared by combustion of hexamethyldisiloxane sprays, as characterized by Raman and infrared spectroscopy, thermogravimetric analysis, and titration with lithium alanate...
July 27, 2017: Journal of Colloid and Interface Science
https://www.readbyqxmd.com/read/28771323/synthetic-advances-in-insulin-like-peptides-enable-novel-bioactivity
#18
Fa Liu, Pengyun Li, Vasily Gelfanov, John Mayer, Richard DiMarchi
Insulin is a miraculous hormone that has served a seminal role in the treatment of insulin-dependent diabetes for nearly a century. Insulin resides within in a superfamily of structurally related peptides that are distinguished by three invariant disulfide bonds that anchor the three-dimensional conformation of the hormone. The additional family members include the insulin-like growth factors (IGF) and the relaxin-related set of peptides that includes the so-called insulin-like peptides. Advances in peptide chemistry and rDNA-based synthesis have enabled the preparation of multiple insulin analogues...
August 3, 2017: Accounts of Chemical Research
https://www.readbyqxmd.com/read/28769903/covert-infection-of-insects-by-baculoviruses
#19
REVIEW
Trevor Williams, Cristina Virto, Rosa Murillo, Primitivo Caballero
Baculoviruses (Baculoviridae) are occluded DNA viruses that are lethal pathogens of the larval stages of some lepidopterans, mosquitoes, and sawflies (phytophagous Hymenoptera). These viruses have been developed as biological insecticides for control of insect pests and as expression vectors in biotechnological applications. Natural and laboratory populations frequently harbor covert infections by baculoviruses, often at a prevalence exceeding 50%. Covert infection can comprise either non-productive latency or sublethal infection involving low level production of virus progeny...
2017: Frontiers in Microbiology
https://www.readbyqxmd.com/read/28768697/a-novel-high-throughput-yeast-genetic-screen-for-factors-modifying-protein-levels-of-the-early-onset-torsion-dystonia-associated-variant-torsina%C3%AE-e
#20
Lucía F Zacchi, John C Dittmar, Michael J Mihalevic, Annette M Shewan, Benjamin L Schulz, Jeffrey L Brodsky, Kara A Bernstein
Dystonia is the third most common movement disorder, but its diagnosis and treatment remain challenging. One of the most severe types of Dystonia is Early-Onset Torsion Dystonia (EOTD). The best studied and validated EOTD-associated mutation, torsinAΔE, is a deletion of a C-terminal glutamate residue in the AAA+ ATPase, torsinA. TorsinA appears to be an Endoplasmic Reticulum (ER)/Nuclear Envelope chaperone with multiple roles in the secretory pathway and in determining subcellular architecture. Many functions are disabled in the torsinAΔE variant, and torsinAΔE is also less stable than wild-type torsinA and is a substrate for ER-associated degradation...
August 2, 2017: Disease Models & Mechanisms
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