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https://www.readbyqxmd.com/read/28930473/molecular-insights-into-human-serum-albumin-as-a-receptor-of-amyloid-%C3%AE-in-the-extracellular-region
#1
Tae Su Choi, Hyuck Jin Lee, Jong Yoon Han, Mi Hee Lim, Hugh I Kim
Regulation of amyloid-β (Aβ) aggregation by metal ions and proteins is essential for understanding the pathology of Alzheimer's disease (AD). Human serum albumin (HSA), a regulator of metal and protein transportation, can modulate metal-Aβ interactions and Aβ aggregation in human fluid; however, the molecular mechanisms for such activities remain unclear. Herein, we report the molecular-level complexation between Zn(II), Cu(II), Aβ, and HSA, which is able to alter the aggregation and cytotoxicity of Aβ peptides and induce their cellular transportation...
September 20, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28929246/a-numerical-study-of-the-hemodynamic-effect-of-the-aortic-valve-on-coronary-flow
#2
Shaily Wald, Alex Liberzon, Idit Avrahami
During diastole, coronary perfusion depends on the pressure drop between the myocardial tissue and the coronary origin located at the aortic root. This pressure difference is influenced by the flow field near the closing valve leaflets. Clinical evidence is conclusive that patients with severe aortic stenosis (AS) suffer from diastolic dysfunction during hyperemia, but show increased coronary blood flow (CBF) during rest. Transcatheter aortic valve implantation (TAVI) was shown to decrease rest CBF along with its main purpose of improving the aortic flow and reducing the risk of heart failure...
September 19, 2017: Biomechanics and Modeling in Mechanobiology
https://www.readbyqxmd.com/read/28927938/hollow-porous-molecularly-imprinted-polymer-for-highly-selective-clean-up-followed-by-influential-preconcentration-of-ultra-trace-glibenclamide-from-bio-fluid
#3
Abbas Ostovan, Mehrorang Ghaedi, Maryam Arabi, Arash Asfaram
In the present work, hollow porous molecularly imprinted polymer (HPMIP) was prepared via adopting a sacrificial support approach using glibenclamide (GB) as template, methacrylic acid (MAA) as functional monomer, ethylene glycol dimethacrylate as cross-linker (EGDMA) and mesoporous MCM-48 nanospheres as support. Owing to a short thickness of the foresaid HPMIP, a suitable steric structure was readily available that lead to fast and effective mass transfer of target analyte to sorbent and consequently supply high binding capacity...
September 10, 2017: Journal of Chromatography. A
https://www.readbyqxmd.com/read/28922633/protein-extraction-into-the-bicontinuous-microemulsion-phase-of-a-water-sds-pentanol-dodecane-winsor-iii-system-effect-on-nanostructure-and-protein-conformation
#4
Douglas G Hayes, Ran Ye, Rachel N Dunlap, Matthew J Cuneo, Sai Venkatesh Pingali, Hugh M O'Neill, Volker S Urban
Bicontinuous microemulsions (BμEs), consisting of water and oil nanodomains separated by surfactant monolayers of near-zero curvature, are potentially valuable systems for purification and delivery of biomolecules, for hosting multiphasic biochemical reactions, and as templating media for preparing nanomaterials. We formed Winsor-III systems by mixing aqueous protein and sodium dodecyl sulfate (SDS) solutions with dodecane and 1-pentanol (cosurfactant) to efficiently extract proteins into the middle (BμE) phase...
September 7, 2017: Colloids and Surfaces. B, Biointerfaces
https://www.readbyqxmd.com/read/28922615/the-impact-of-incorporating-antimicrobials-into-implant-surfaces
#5
N J Hickok, I M Shapiro, A F Chen
With the increase in numbers of joint replacements, spinal surgeries, and dental implantations, there is an urgent need to combat implant-associated infection. In addition to stringent sterile techniques, an efficacious way to prevent this destructive complication is to create new implants with antimicrobial properties. Specifically, these implants must be active in the dental implant environment where the implant is bathed in the glycoprotein-rich salivary fluids that enhance bacterial adhesion, and propagation, and biofilm formation...
September 1, 2017: Journal of Dental Research
https://www.readbyqxmd.com/read/28922605/alkane-coiling-in-perfluoroalkane-solutions-a-new-primitive-solvophobic-effect
#6
Pedro Morgado, Ana Rosa Garcia, Luís F G Martins, Laura M Ilharco, Eduardo J M Filipe
In this work we demonstrate that n-alkanes coil when mixed with perfluoroalkanes, changing their conformational equilibria to more globular states, with a higher number of gauche conformations. The new coiling effect is here observed in fluids governed exclusively by dispersion interactions, contrarily to other examples in which hydrogen bonding and polarity play important roles. FTIR spectra of liquid mixtures of n-hexane and perfluorohexane unambiguously reveal that the population of n-hexane molecules in all-trans conformation reduces from 32% in the pure n-alkane to practically zero...
September 18, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28922604/a-comparative-study-on-the-performance-of-inert-and-functionalized-spheres-coated-with-solid-dispersions-made-of-two-structurally-related-antifungal-drugs
#7
Naila A Mugheirbi, Peter O'Connell, Dolores R Serrano, Anne Marie Healy, Lynne S Taylor, Lidia Tajber
Fluid bed coating offers potential advantages as a formulation platform for amorphous solid dispersions (ASDs) of poorly soluble drugs, being a one-step manufacturing process which could reduce the risk of phase separation associated with multiple step manufacturing approaches. However, the impact of the physicochemical nature of carrier spheres on the properties and drug release from the ASDs has not been studied in detail. In this work, tartaric acid (TAP) and microcrystalline cellulose (CEL) spheres were chosen as examples of functional and inert beads, respectively...
September 18, 2017: Molecular Pharmaceutics
https://www.readbyqxmd.com/read/28917842/multi-scale-simulations-of-biological-systems-using-the-opep-coarse-grained-model
#8
Fabio Sterpone, Sébastien Doutreligne, Thanh Thuy Tran, Simone Melchionna, Marc Baaden, Phuong H Nguyen, Philippe Derreumaux
Biomolecules are complex machines that are optimized by evolution to properly fulfill or contribute to a variety of biochemical tasks in the cellular environment. Computer simulations based on quantum mechanics and atomistic force fields have been proven to be a powerful microscope for obtaining valuable insights into many biological, physical, and chemical processes. Many interesting phenomena involve, however, a time scale and a number of degrees of freedom, notably if crowding is considered, that cannot be explored at an atomistic resolution...
September 13, 2017: Biochemical and Biophysical Research Communications
https://www.readbyqxmd.com/read/28910711/a-novel-micro-to-macro-structural-approach-for-mechanical-characterization-of-adipose-tissue-extracellular-matrix
#9
Behzad Seyfi, Nasser Fatouraee, Abbas Samani
Mechanical characterization of adipose tissue micro-components is important for various biomedical applications such as tissue engineering and predicting adipose tissue response to forces involved in relevant medical intervention procedures (e.g. breast needle biopsy). For this characterization, we introduce a novel structural method for micromechanical modeling of the adipose tissue. The micromechanical model was developed using fluid-structure interaction (FSI) formulation. We utilized this model within an inverse problem framework to estimate the hyperelastic parameters of adipose tissue extracellular matrix (ECM)...
September 5, 2017: Journal of the Mechanical Behavior of Biomedical Materials
https://www.readbyqxmd.com/read/28910531/propane-water-mixtures-confined-within-cylindrical-silica-nano-pores-structural-and-dynamical-properties-probed-by-molecular-dynamics
#10
Tran Thi Bao Le, Alberto Striolo, Siddharth Gautam, David R Cole
Despite the multiple length and time scales over which fluid-mineral interactions occur, interfacial phenomena control the exchange of matter and impact the nature of multiphase flow, as well as the reactivity of C-O-H fluids in geologic systems. In general, the properties of confined fluids, and their influence on porous geologic phenomena are much less well understood compared to those of bulk fluids. We used equilibrium molecular dynamics simulations to study fluid systems composed of propane and water, at different compositions, confined within cylindrical pores of diameter ~16 Å carved out of amorphous silica...
September 14, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28910528/a-statistical-mechanical-model-for-adsorption-coupled-with-saft-vr-mie-equation-of-state
#11
Luis Fernando Mercier Franco, Ioannis George Economou, Marcelo Castier
We extend the SAFT-VR Mie equation of state to calculate adsorption isotherms by considering explicitly the residual energy due to the confinement effect. Assuming a square-well potential for the fluid-solid interactions, the structure imposed by the fluid-solid interface is calculated using two different approaches: an empirical expression proposed by Travalloni et al. (Chem. Eng. Sci., 65, 3088-3099, 2010), and a new theoretical expression derived by applying the mean value theorem. Adopting the SAFT-VR Mie (Lafitte et al...
September 14, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28906107/concepts-and-methods-of-solid-state-nmr-spectroscopy-applied-to-biomembranes
#12
Trivikram R Molugu, Soohyun Lee, Michael F Brown
Concepts of solid-state NMR spectroscopy and applications to fluid membranes are reviewed in this paper. Membrane lipids with (2)H-labeled acyl chains or polar head groups are studied using (2)H NMR to yield knowledge of their atomistic structures in relation to equilibrium properties. This review demonstrates the principles and applications of solid-state NMR by unifying dipolar and quadrupolar interactions and highlights the unique features offered by solid-state (2)H NMR with experimental illustrations. For randomly oriented multilamellar lipids or aligned membranes, solid-state (2)H NMR enables direct measurement of residual quadrupolar couplings (RQCs) due to individual C-(2)H-labeled segments...
September 14, 2017: Chemical Reviews
https://www.readbyqxmd.com/read/28890863/enhanced-viscoelastic-property-of-iron-oxide-nanoparticle-decorated-organoclay-fluid-under-magnetic-field
#13
You-Hwan Son, Youngsoo Jung, Heesuk Roh, Jung-Kun Lee
Stable hydrophobic nanocomposites of magnetic nanoparticles and clay are prepared by the self-assembly of magnetite (Fe3O4) nanoparticles on surfaces of exfoliated clay platelets. Due to the attractive interaction between hydrophobic groups, oleic acid coated nanoparticles are strongly attached to the surface of cetyl trimethylammonium cation coated clay platelets in organic media. Crystal structure and magnetic property of composite particles are examined using electron microscopy, x-ray diffractometer and vibration sample magnetometer...
2017: Nano Convergence
https://www.readbyqxmd.com/read/28886458/a-novel-psychoanalytical-approach-an-electrochemical-ligand-binding-assay-to-screen-antipsychotics
#14
Tugba Kilic, Valerie Brunner, Laurent Audoly, Sandro Carrara
Schizophrenia treatment may see a paradigm shift due to development of new atypical antipsychotic drugs (APDs), with better tolerability due to more selective dopamine (DA) receptor blockade. Monitoring of these APD candidates in biological fluids is of great importance to reduce the development cost, to clarify the mechanism of action and ultimately to support the demonstration of efficacy of these molecules. Electrochemical approaches have attracted great attention for monitoring DA and APD levels but none of the methods developed so far aimed to screen APD candidates...
August 30, 2017: Biosensors & Bioelectronics
https://www.readbyqxmd.com/read/28886196/fully-coupled-fluid-structure-interaction-simulation-of-the-aortic-and-mitral-valves-in-a-realistic-3d-left-ventricle-model
#15
Wenbin Mao, Andrés Caballero, Raymond McKay, Charles Primiano, Wei Sun
In this study, we present a fully-coupled fluid-structure interaction (FSI) framework that combines smoothed particle hydrodynamics (SPH) and nonlinear finite element (FE) method to investigate the coupled aortic and mitral valves structural response and the bulk intraventricular hemodynamics in a realistic left ventricle (LV) model during the entire cardiac cycle. The FSI model incorporates valve structures that consider native asymmetric leaflet geometries, anisotropic hyperelastic material models and human material properties...
2017: PloS One
https://www.readbyqxmd.com/read/28882894/zinc-oxide-nanoparticles-provide-anti-cholera-activity-by-disrupting-the-interaction-of-cholera-toxin-with-the-human-gm1-receptor
#16
Shamila Sarwar, Asif Ali, Mahadeb Pal, Pinak Chakrabarti
Vibrio cholerae causes cholera and is the leading cause of diarrhea in the developing countries, highlighting the need for the development of new treatment strategies to combat this disease agent. While exploring the possibility of using zinc oxide (ZnO) nanoparticles (NPs) in cholera treatment, we previously found that ZnO NPs reduce fluid accumulation in mouse ileum induced by the cholera toxin (CT) protein. To uncover the mechanism of action of ZnO NPs on CT activity, here we used classical (O395) and El Tor (C6706) V...
September 7, 2017: Journal of Biological Chemistry
https://www.readbyqxmd.com/read/28872900/enceladus-plume-structure-and-time-variability-comparison-of-cassini-observations
#17
Ben D Teolis, Mark E Perry, Candice J Hansen, J Hunter Waite, Carolyn C Porco, John R Spencer, Carly J A Howett
During three low-altitude (99, 66, 66 km) flybys through the Enceladus plume in 2010 and 2011, Cassini's ion neutral mass spectrometer (INMS) made its first high spatial resolution measurements of the plume's gas density and distribution, detecting in situ the individual gas jets within the broad plume. Since those flybys, more detailed Imaging Science Subsystem (ISS) imaging observations of the plume's icy component have been reported, which constrain the locations and orientations of the numerous gas/grain jets...
September 2017: Astrobiology
https://www.readbyqxmd.com/read/28872644/self-assembly-behaviour-of-hetero-nuclear-janus-dumbbells
#18
Patrick O'Toole, Gianmarco Munaò, Achille Giacometti, Toby S Hudson
We investigate the fluid structure and self-assembly of a system of Janus dumbbells by means of aggregation-volume-bias Monte Carlo simulations and Simulated Annealing techniques. In our approach, Janus dumbbells model asymmetric colloidal particles constituted by two tangent (touching) spheres (labelled as h and s) of different sizes and interaction properties: specifically, the h spheres interact with all other spheres belonging to different dumbbells via hard-sphere potentials, whereas two s spheres interact via a square-well potential...
September 5, 2017: Soft Matter
https://www.readbyqxmd.com/read/28865707/effect-of-airway-surface-liquid-on-the-forces-on-the-pharyngeal-wall-experimental-fluid-structure-interaction-study
#19
Jernej Pirnar, Brane Širok, Andrej Bombač
Obstructive sleep apnoea syndrome (OSAS) is a breathing disorder with a multifactorial etiology. The respiratory epithelium is lined with a thin layer of airway surface liquid preventing interactions between the airflow and epithelium. The effect of the liquid lining in OSAS pathogenesis remains poorly understood despite clinical research. Previous studies have shown that the physical properties of the airway surface liquid or altered stimulation of the airway mechanoreceptors could alleviate or intensify OSAS; however, these studies do not provide a clear physical interpretation...
August 24, 2017: Journal of Biomechanics
https://www.readbyqxmd.com/read/28862872/adsorption-of-organic-compounds-on-hematite-%C3%AE-fe2o3-using-reaxff
#20
Chung Lim Chia, Carlos Avendano, Flor R Siperstein, Sorin Vasile Filip
ReaxFF-based molecular dynamics simulations are used in this work to study the effect of polarity of adsorbed fluid molecules on the structure and polarization of hematite (α-Fe2O3). We compared adsorption of organic molecules with different polarity on a rigid hematite surface and on a flexible and polarizable surface. We show that the displacements of surface atoms and surface polarization in a flexible hematite model is proportional to the adsorbed molecule's polarity. The increase in electrostatic interactions resulting from charge transfer in the outermost solid atoms in a flexible hematite model results in better defined adsorbed layers, but less ordered than those obtained assuming a rigid solid...
September 1, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
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