Bilayer-mediated assembly of cationic nanoparticles adsorbed to lipid bilayers: Insights from molecular simulations

Understanding interactions between functionalized gold nanoparticles (NPs) and lipid bilayers is essential for biomedical applications. Experiments have shown that NPs that are stable in solution can assemble into clusters when adsorbed to a lipid bilayer, suggesting that bilayer-mediated interactions facilitate assembly. In this work, we use coarse-grained molecular dynamics simulations to study bilayer-mediated interactions between NPs adsorbed to single- and multicomponent lipid bilayers. We perform unbiased simulations and umbrella sampling calculations using an implicit solvent force field to determine the thermodynamic contributions to assembly. We show that bilayer-mediated interactions drive the assembly of NPs into linear aggregates on liquid-disordered bilayers, which we attribute to a reduction in bilayer curvature. Similar bilayer-mediated interactions induce the alignment of NP clusters with phase boundaries in phase-separated bilayers. Together, these simulation results provide new physical insight into the balance of forces that dictate the assembly of charged NPs at multicomponent lipid bilayer interfaces.     

Ion Exchange of Selected Group II Metals and Lead by Crystalline Silicotitanate and Competition for Cs Exchange Sites

ABSTRACT

A series of batch contact tests were conducted to evaluate the exchange behavior of Ba, Ca, Pb, and Sr onto crystalline silicotitanate (CST) in support of an expedited Cs removal and pretreatment system at the Hanford site. Binary Na/M²⁺ and ternary Na/Cs/M²⁺ isotherms were generated to understand selectivity, capacity, and competitive impact of each analyte on Cs uptake from a simple 1 M NaOH/4.6 M NaNO₃ simulant. Analyte loading from a 0.1 M NaOH/5.5 M NaNO₃ simulant was assessed to determine the effect of hydroxide concentration on binary Na/M²⁺ isotherms. Results from binary and ternary isotherms indicated that Group II metals Ca, Sr, and Ba (and Pb) do not impact CST performance toward Cs removal at concentrations expected in Hanford tank-waste supernate.     

Microstructure of mayenite 12CaO·7Al2O3 and electron emission characteristics

Electron emission characteristic, electrical conductivity of polycrystalline mayenite (12CaO·7Al₂O₃) electride, formation of [Ca₂₄Al₂₈O₆₄]⁴⁺(e⁻)₄ framework as a function of phase content, and microstructure have been investigated. The mayenite microstructure was investigated using high-resolution transmission microscopy which revealed the type cage structure of 12CaO·7Al₂O₃ partially filled by extra-framework oxygen ions. Incorporation of electrons by means of carbon ion template 12CaO·7Al₂O₃ produces complex structure, and an incomplete ion template 12CaO·7Al₂O₃ structure consisting of mixture of a [Ca₂₄Al₂₈O₆₄]⁴⁺(e⁻)₄ and [Ca₂₄Al₂₈O₆₄]⁴⁺(O²⁻)₂ framework had a direct effect on the electron emission. Surface chemistry and stability of the 12CaO·7Al₂O₃ electride have been studied using x-ray photoelectron spectroscopy. The work function of phase pure 12CaO·7Al₂O₃ electride was determined from direct thermionic emission data and compared to the measurement from ultraviolet photoelectron spectroscopy (UPS). Depending on the extent of ion template of 12CaO·7Al₂O₃ structure, a work function of 0.9–1.2 eV and 2.1–2.4 eV has been measured and thermionic emission initiating at 600°C.     

An indirect testing approach for characterizing pressure profiles of compression bandages and hosiery

As outlined in compression therapy literature, the performance of a compression textile can be characterized by its stiffness and interface pressure. In this study, an indirect approach for measuring pressure from a set of compression bandages and hosiery was developed, from which rigidity (EI) values were determined, and tension–elongation curves and pressure-elongation data were calculated. The calculated pressure values were compared against PicoPress sensor readings measured on 10 participants. Results showed that the correlation between both approaches varied among bandage and hosiery samples.     

Isomeric Carborane Neuromuscular Blocking Agents

We synthesized a family of neuromuscular blocking agents (NMB) based on decamethonium, but containing a carborane cluster in the methylene chain between the two quaternary ammonium groups. The carborane cluster isomers o-NMB, m-NMB, and p-NMB were tested in animals for neuromuscular block and compared with agents used clinically: rocuronium and decamethonium. All three isomers caused reversible muscle weakness in mice as determined by grip strength and inverted screen tests, with a potency rank of p-NMB > rocuronium > decamethonium > m-NMB > o-NMB. The mechanism of action of the compounds was determined by using the in vitro rat phrenic nerve hemi-diaphragm preparation and electrophysiologic measurements in cells. Neostigmine reversed hemi-diaphragm weakness caused by the three isomers and rocuronium, but not succinylcholine. In electrophysiologic recordings of currents through acetylcholine receptor channels, the carborane compounds did not activate channel activity but did inhibit channel activation by acetylcholine. These results demonstrate that the carborane neuromuscular blocking agents are non-depolarizers in contrast to the depolarizing action of the parent compound.     

Influence of aorta extracellular matrix in electrospun polycaprolactone scaffolds

Cardiovascular disease is the leading cause of mortality worldwide. Therefore, new research strategies for the treatment of cardiovascular disease are required. Previously, extracellular matrices (ECMs) have been used alongside polymers to generate hybrid bioscaffolds. Herein, we propose combining aortic ECMs with a polycaprolactone electrospun scaffold and biomechanically evaluating the scaffolds. We electrospun three scaffolds with varying ECM concentrations and found that increasing the ECM concentration leads to decreased stiffness at low strains, increased elasticity at high strain, reduction in failure strain, and an increase in yield strength. We also noted a decrease in water droplet contact angle with the increasing ECM concentration. Furthermore, we found that all three scaffolds were capable of maintaining human umbilical vein endothelial cell attachment and survival. These findings show the wide spectrum of mechanical properties that can be achieved through the addition of different concentrations of ECM into the fibers. © 2019 The Authors. Journal of Applied Polymer Science published by Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019 , 136, 48181.