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fluid structure interaction

H Berthoumieux
This work is concerned with a simple model for a polar fluid, a Gaussian field model based on the excess density and on the polarization. It is a convenient framework to implement the dielectric properties of correlated liquids that stem from nanometric correlations between molecules. It allows us to study the effects of coupling terms between density and polarization on the structure of the fluid. Despite the simplicity of such a model, it can capture some interesting features of the response functions of water such as the quasi-resonant longitudinal dielectric susceptibility or the presence of two maxima in the structure factor...
March 14, 2018: Journal of Chemical Physics
Ali Mirzaeinia, Farzaneh Feyzi, Seyed Majid Hashemianzadeh
Based on Wertheim's second order thermodynamic perturbation theory (TPT2), equations of state (EOSs) are presented for the fluid and solid phases of tangent, freely jointed spheres. It is considered that the spheres interact with each other through the Weeks-Chandler-Anderson (WCA) potential. The developed TPT2 EOS is the sum of a monomeric reference term and a perturbation contribution due to bonding. MC NVT simulations are performed to determine the structural properties of the reference system in the reduced temperature range of 0...
March 14, 2018: Journal of Chemical Physics
A B Courtemanche, B P Lloyd, J T Tapp
BACKGROUND: Self-injurious behaviour (SIB) is a treatment-resistant aberrant behaviour that significantly impacts the lives of people with intellectual disabilities (ID). Direct observations of SIB under naturally occurring conditions can inform the unique structural properties of these behaviours, and the contexts in which they occur. While previous applications of sequential analyses have identified strong temporal associations between instances of SIB, they have relied on methods that do not adequately control for chance sequencing and may mask within-participant variability by pooling data across contexts and response topographies...
March 14, 2018: Journal of Intellectual Disability Research: JIDR
Tomasz Zbigniew Osmałek, Anna Froelich, Barbara Jadach, Marek Krakowski
Purpose Most of the studies concerning gellan have been focused on its application as a food ingredient, however, gellan is often considered as a candidate for the development of novel pharmaceutical formulations. Taking into account that gellan is ion-sensitive, it can be assumed that its initial mechanical properties can change upon contact with body secretions. Therefore, the aim of the work was to investigate the rheological properties of pure high-acyl gellan gum hydrogel (0.4%) and its mixtures with selected simulated body fluids...
January 1, 2018: Journal of Biomaterials Applications
Dexue Liu, Shiwen Hu, Xunyan Yin, Jianjun Liu, Zhi Jia, Qinglin Li
In this study, a vascular stent made of WE43 magnesium alloy was used as a research object and placed in a special physical simulation device constructed independently. This device provided a platform for the study of the degradation of the stent in a dynamic environment. The simulated body fluid of Hank's buffered salt solution flowing inside it would not only make the stent corroded but also apply cyclic shear stress to it, which get closer to the micro-stress environment in human blood vessels. In addition, by means of computer numerical simulation software, ANSYS Fluent 15...
March 1, 2018: Materials Science & Engineering. C, Materials for Biological Applications
Bengang Xing, Xiangzhao Ai, Ming Hu, Zhimin Wang, Wenmin Zhang, Juan Li, Jun Lin, Huang-Hao Yang
In terms of the extremely small size and large specific surface area, nanomaterials often exhibit unusual physical and chemical properties, which have recently attracted considerable attention in bionanotechnology and nanomedicine. Currently, the extensive usage of nanotechnology in medicine holds the great potential for precise diagnosis and effective therapeutics of various human diseases in clinical practice in past decades. However, a detailed understanding regarding how nanomedicines interact with the intricate environment in complex living systems remains a pressing and challenging goal...
March 6, 2018: Bioconjugate Chemistry
Sarah Pasquin, Salma Chehboun, Agnieszka Dejda, Yasmine Meliani, Virginia Savin, Gregory J Warner, Roger Bosse, Aurélie Tormo, Gaétan Mayer, Mukut Sharma, Przemyslaw Sapieha, Catherine Martel, Jean-François Gauchat
The cytokines CLCF1 and CNTF are ligands for the CNTF receptor and the apolipoprotein E (ApoE) receptor sortilin. Both share structural similarities with the N-terminal domain of ApoE, known to bind CNTF. We therefore evaluated whether ApoE or ApoE-containing lipoproteins interact with CLCF1 and regulate its activity. We observed that CLCF1 forms complexes with the three major isoforms of ApoE in co-immunoprecipitation and proximity assays. FPLC analysis of mouse and human sera mixed with CLCF1 revealed that CLCF1 co-purifies with plasma lipoproteins...
March 5, 2018: Scientific Reports
Cindi L Dennis, Andrew Jackson, Julie Borchers, Cordula Gruettner, Robert Ivkov
We show the effects of a time-invariant magnetic field on the physical structure and magnetic properties of a colloid comprising 44 nm diameter magnetite magnetic nanoparticles, with a 24 nm dextran shell, in water. Structural ordering in this colloid parallel to the magnetic field occurs simultaneously with the onset of a colloidal uniaxial anisotropy. Further increases in the applied magnetic field cause the nanoparticles to order perpendicular to the field, producing unexpected colloidal unidirectional and trigonal anisotropies...
March 1, 2018: Nanotechnology
Simon Garnotel, Stéphanie Salmon, Olivier Balédent
OBJECTIVE: Cerebrospinal fluid (CSF) stroke volume in the aqueduct is widely used to evaluate CSF dynamics disorders. In a healthy population, aqueduct stroke volume represents around 10% of the spinal stroke volume while intracranial subarachnoid space stroke volume represents 90%. The amplitude of the CSF oscillations through the different compartments of the cerebrospinal system is a function of the geometry and the compliances of each compartment, but we suspect that it could also be impacted be the cardiac cycle frequency...
2018: Acta Neurochirurgica. Supplement
A L Gilmore-Bykovskyi, N Rogus-Pulia
OBJECTIVES: Dysphagia, or impaired swallowing, is common in nursing home (NH) residents with dementia and contributes to malnutrition and diminished quality of life. Dysphagia also commonly leads to aspiration or passage of food or fluids into the airway, which can result in aspiration pneumonia-a leading cause of death for people with dementia. Currently available interventions for dysphagia aim to modify the risk of aspiration events primarily by modifying diet and positioning to improve the safety of an individual's swallow...
2018: Journal of Nutrition, Health & Aging
Melaine A Kuenemann, Denis Fourches
The With-No-Lysine (WNK) serine/threonine kinase family constitutes a unique and distinctive branch of the kinome. The four proteins of this family (WNK1/2/3/4) are involved in blood pressure regulation, body fluid, and electrolyte homeostasis. Herein, we modeled and analyzed the binding modes of all publicly-available small orthosteric and allosteric binders (including WNK463 and WNK467) experimentally tested towards any of the WNK family member. To do so, we relied on state-of-the-art cheminformatics approaches including structure-based molecular docking and molecular dynamics simulations...
February 23, 2018: Molecular Informatics
Timothy J Boyle, Diana Perales, Jessica M Rimsza, Todd M Alam, Daniel M Boye, Jeremiah M Sears, Jeffery A Greathouse, Richard A Kemp
A pair of thallium salen derivatives was synthesized and characterized for potential use as monitors (or taggants) or as models for Group 13 complexes for subterranean fluid flows. These precursors were isolated from the reaction of thallium ethoxide with N,N'-bis(3,5-di-tert-butylsalicylidene)-ethylenediamine (H2 -salo-But ), or N,N'-bis(3,5-di-tert-butylsalicylidene)-1,2-phenylenediamine (H2 -saloPh-But ). The products were identified by single crystal X-ray diffraction as: [((μ-O)2 ,κ1 -(N)(N')salo-But )Tl2 ] (1) and {[((μ-O)2 saloPh-But )Tl2 ][((μ-O)2 ,κ1 -(N)(N')saloPh-But )Tl2 ]} (2)...
February 23, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
Zakaria Ouhaz, Hugo Fleming, Anna S Mitchell
The mediodorsal nucleus of the thalamus (MD) has been implicated in executive functions (such as planning, cognitive control, working memory, and decision-making) because of its significant interconnectivity with the prefrontal cortex (PFC). Yet, whilst the roles of the PFC have been extensively studied, how the MD contributes to these cognitive functions remains relatively unclear. Recently, causal evidence in monkeys has demonstrated that in everyday tasks involving rapid updating (e.g., while learning something new, making decisions, or planning the next move), the MD and frontal cortex are working in close partnership...
2018: Frontiers in Neuroscience
Long Deng, Xueying Huang, Chun Yang, Yunhu Song, Dalin Tang
Left ventricular outflow tract obstruction is observed in 70% of patients with hypertrophic cardiomyopathy, which occurs in about 1 of every 500 adults in the general population. It has been widely believed that the motion of the mitral valve, in particular, its systolic anterior motion (SAM), attributes significantly to such obstruction. For a better understanding of the mitral valve motion, a 3D patient-specific fluid-structure interaction model of the left ventricle from a patient with hypertrophic obstructive cardiomyopathy based on computed tomography (CT) scan images was proposed in this study...
February 21, 2018: Computer Methods in Biomechanics and Biomedical Engineering
Tanmoy Sanyal, M Scott Shell
Bottom-up coarse grained (CG) models are now regularly pursued to enable large length and time scale molecular simulations of complex, often macromolecular systems. However, predicting fluid phase equilibria using such models remain fundamentally challenging. A major problem stems from the typically low transferability of CG models beyond the densities and/or compositions at which they are parameterized, which is necessary if they are to describe distinct structural and thermodynamic properties unique to each phase...
February 21, 2018: Journal of Physical Chemistry. B
Agustina Bongioanni, Bruno Sousa Araújo, Yara Santiago de Oliveira, Marcela R Longhi, Alejandro Ayala, Claudia Garnero
Albendazole, an effective broad-spectrum anthelmintic agent, showed unpredictable therapeutic response caused by poor water solubility and slow dissolution rate. Then, novel binary and multicomponent supramolecular systems of two different solid forms of albendazole (I and II) with maltodextrin alone or with glutamic acid were studied as an alternative to improve the oral bioavailability of albendazole. The interactions and effects on the properties of albendazole were studied in solution and solid state. The solid systems were characterized using Raman and Fourier transform-infrared spectroscopy, thermal analysis, powder X-ray diffraction, and scanning electron microscopy...
February 20, 2018: AAPS PharmSciTech
Kenta Ishimoto, Hermes Gadêlha, Eamonn A Gaffney, David J Smith, Jackson Kirkman-Brown
Remarkably, mammalian sperm maintain a substantive proportion of their progressive swimming speed within highly viscous fluids, including those of the female reproductive tract. Here, we analyse the digital microscopy of a human sperm swimming in a highly viscous, weakly elastic mucus analogue. We exploit principal component analysis to simplify its flagellar beat pattern, from which boundary element calculations are used to determine the time-dependent flow field around the sperm cell. The sperm flow field is further approximated in terms of regularized point forces, and estimates of the mechanical power consumption are determined, for comparison with analogous low viscosity media studies...
February 17, 2018: Journal of Theoretical Biology
Mostafa D A Azadi, Shadi Hassanjili, Khalil Zarrabi, Bahador Sarkari
Cystic echinococcosis (CE)/hydatid cyst is one of the most important helminthic diseases in the world. The treatment of hydatid cyst ranges from surgical intervention to chemotherapy, although the efficacy of chemotherapy is still unclear. Postoperative complication which results from the spillage of cysts during surgical operation is one of the most important concerns in surgical treatment of hydatid cyst. The aim of the current study was to solidify the hydatid cyst fluid (HCF) with an injectable and thermosensitive chitosan (CS)/carboxymethyl cellulose (CMC)/β-glycerol phosphate (BGP) hydrogel for effective control of spillage during the aspiration of hydatid cysts...
February 19, 2018: Progress in Biomaterials
Zifang Shang, Hao Song, Yi Shi, Jianxun Qi, George F Gao
Recently, Zika virus (ZIKV) emerged as a global public health concern, and is distinct from other flaviviruses in many aspects, e.g., causing transplacental infection, fetal abnormalities and vector-independent transmission through body fluids in humans. The capsid (C) protein is a multifunctional protein, since it binds to viral RNA in the process of nucleocapsid assembly and plays important roles in virus infection processes by interacting with cellular proteins, modulating cellular metabolism, apoptosis and immune response...
February 15, 2018: Journal of Molecular Biology
Chih-Wen Yang, Kwan-Tai Leung, Ren-Feng Ding, Hsien-Chen Ko, Yi-Hsien Lu, Chung-Kai Fang, Ing-Shouh Hwang
Atomic force microscopy is used to conduct single-asperity friction measurements at a water-graphite interface. Local mapping of the frictional force, which is based on the degree of the cantilever twisting, shows nearly friction-free when a tip scans over a nanobubble. Surprisingly, apart from being gapless, the associated friction loop exhibits a tilt in the cantilever twisting versus the tip's lateral displacement with the slope depending on the loading force. The sign of the slope reverses at around zero loading force...
February 15, 2018: Scientific Reports
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