Electrospinning and Superhydrophobic Materials

DTIC Science & Technology

2015-04-01

2005), 17, 2807. [8] Doshi, D. A.; Shah, P. B.; Singh, S.; Branson, E. D.; Malanoski, A. P.; Watkins , E. B.; Majewski, J.; van Swol, F.; Brinker, C...J. Langmuir (2005), 21, 7805. [9] Rao, A. V.; Kulkarni, M. M.; Amalnerkar, D. P.; Seth , T. J. Non-Cryst. Solids (2003), 330, 187. [10

Permeating disciplines: Overcoming barriers between molecular simulations and classical structure-function approaches in biological ion transport.

PubMed

Howard, Rebecca J; Carnevale, Vincenzo; Delemotte, Lucie; Hellmich, Ute A; Rothberg, Brad S

2018-04-01

Ion translocation across biological barriers is a fundamental requirement for life. In many cases, controlling this process-for example with neuroactive drugs-demands an understanding of rapid and reversible structural changes in membrane-embedded proteins, including ion channels and transporters. Classical approaches to electrophysiology and structural biology have provided valuable insights into several such proteins over macroscopic, often discontinuous scales of space and time. Integrating these observations into meaningful mechanistic models now relies increasingly on computational methods, particularly molecular dynamics simulations, while surfacing important challenges in data management and conceptual alignment. Here, we seek to provide contemporary context, concrete examples, and a look to the future for bridging disciplinary gaps in biological ion transport. This article is part of a Special Issue entitled: Beyond the Structure-Function Horizon of Membrane Proteins edited by Ute Hellmich, Rupak Doshi and Benjamin McIlwain. Copyright © 2017 Elsevier B.V. All rights reserved.

Comparison of mechanistic transport cycle models of ABC exporters.

PubMed

Szöllősi, Dániel; Rose-Sperling, Dania; Hellmich, Ute A; Stockner, Thomas

2018-04-01

ABC (ATP binding cassette) transporters, ubiquitous in all kingdoms of life, carry out essential substrate transport reactions across cell membranes. Their transmembrane domains bind and translocate substrates and are connected to a pair of nucleotide binding domains, which bind and hydrolyze ATP to energize import or export of substrates. Over four decades of investigations into ABC transporters have revealed numerous details from atomic-level structural insights to their functional and physiological roles. Despite all these advances, a comprehensive understanding of the mechanistic principles of ABC transporter function remains elusive. The human multidrug resistance transporter ABCB1, also referred to as P-glycoprotein (P-gp), is one of the most intensively studied ABC exporters. Using ABCB1 as the reference point, we aim to compare the dominating mechanistic models of substrate transport and ATP hydrolysis for ABC exporters and to highlight the experimental and computational evidence in their support. In particular, we point out in silico studies that enhance and complement available biochemical data. "This article is part of a Special Issue entitled: Beyond the Structure-Function Horizon of Membrane Proteins edited by Ute Hellmich, Rupak Doshi and Benjamin McIlwain." Copyright © 2017 The Authors. Published by Elsevier B.V. All rights reserved.

Development and Testing of a Smartphone Application Prototype for Oral Health Promotion.

PubMed

Nolen, Sara L; Giblin-Scanlon, Lori J; Boyd, Linda D; Rainchuso, Lori

2018-04-01

Purpose: The purpose of this study was to develop and test a smartphone application (app) prototype, ToothSense, as an oral health promotion tool for the prevention of Early Childhood Caries (ECC) based on the Theory of Planned Behavior (TPB). Methods: A quantitative and qualitative design process based on the TPB was used for the app development in the first phase of the study. A behavioral intervention technologic model was used to document the app features design, accounting for Doshi's intervention strategies for the TPB. Beta-testing of the app was hosted via an online software program. Testers were presented with a series of tasks and prompts followed by a 5-point Likert-scale questionnaire that quantitatively measured perceptions of the app's interactive design based on Jakob Nielsen's principles and behavioral strategies. A Net Promotor Score was calculated to determine the tester's likelihood to recommend the app prototype. Audio and video aspects of the app were qualitatively measured using a template approach. Results: Beta testers agreed the app met the majority of the five usability statements. The Net Promotor Score indicated a likelihood to recommend the app prototype. Thematic analyses revealed the following themes: interface design, navigation, terminology, information, and oral health promotion. Conclusion: Beta testing results from this study provided health promotion project design information for the prevention of ECC using the TPB and highlighted the importance and usability of smartphone app for oral health promotion. Copyright © 2018 The American Dental Hygienists’ Association.

Functional validation of Ca2+-binding residues from the crystal structure of the BK ion channel.

PubMed

Kshatri, Aravind S; Gonzalez-Hernandez, Alberto J; Giraldez, Teresa

2018-04-01

BK channels are dually regulated by voltage and Ca 2+ , providing a cellular mechanism to couple electrical and chemical signalling. Intracellular Ca 2+ concentration is sensed by a large cytoplasmic region in the channel known as "gating ring", which is formed by four tandems of regulator of conductance for K + (RCK1 and RCK2) domains. The recent crystal structure of the full-length BK channel from Aplysia californica has provided new information about the residues involved in Ca 2+ coordination at the high-affinity binding sites located in the RCK1 and RCK2 domains, as well as their cooperativity. Some of these residues have not been previously studied in the human BK channel. In this work we have investigated, through site directed mutagenesis and electrophysiology, the effects of these residues on channel activation by voltage and Ca 2+ . Our results demonstrate that the side chains of two non-conserved residues proposed to coordinate Ca 2+ in the A. californica structure (G523 and E591) have no apparent functional role in the human BK Ca 2+ sensing mechanism. Consistent with the crystal structure, our data indicate that in the human channel the conserved residue R514 participates in Ca 2+ coordination in the RCK1 binding site. Additionally, this study provides functional evidence indicating that R514 also interacts with residues E902 and Y904 connected to the Ca 2+ binding site in RCK2. Interestingly, it has been proposed that this interaction may constitute a structural correlate underlying the cooperative interactions between the two high-affinity Ca 2+ binding sites regulating the Ca 2+ dependent gating of the BK channel. This article is part of a Special Issue entitled: Beyond the Structure-Function Horizon of Membrane Proteins edited by Ute Hellmich, Rupak Doshi and Benjamin McIlwain. Copyright © 2017 Elsevier B.V. All rights reserved.

EDITORIAL: Colloidal suspensions Colloidal suspensions

NASA Astrophysics Data System (ADS)

Petukhov, Andrei; Kegel, Willem; van Duijneveldt, Jeroen

2011-05-01

N W 2002 Nature 416 811 [9] Borsboom M et al 1998 J. Synchrotron Radiat. 5 518 [10] Zernike F and Prins J A 1927 Z. Phys. 41 184 Colloidal suspensions contents How much does the core structure of a three-phase contact line contribute to the line tension near a wetting transition? J O Indekeu, K Koga and B Widom A systematic coarse-graining strategy for semi-dilute copolymer solutions: from monomers to micelles Barbara Capone, Ivan Coluzza and Jean-Pierre Hansen Structural searches using isopointal sets as generators: densest packings for binary hard sphere mixtures Toby S Hudson and Peter Harrowell The theory of delamination during drying of confined colloidal suspensions K J Wallenstein and W B Russel Electrostatics Modeling of equilibrium hollow objects stabilized by electrostatics Ethayaraja Mani, Jan Groenewold and Willem K Kegel The Donnan equilibrium: I. On the thermodynamic foundation of the Donnan equation of state A Philipse and A Vrij Colloidal rods and platelets Cholesteric order in systems of helical Yukawa rods H H Wensink and G Jackson Magnetic-field-induced nematic-nematic phase separation and droplet formation in colloidal goethite E van den Pol, A A Verhoeff, A Lupascu, M A Diaconeasa, P Davidson, I Dozov, B W M Kuipers, D M E Thies-Weesie and G J Vroege Structure of colloidal sphere-plate mixtures N Doshi, G Cinacchi, J S van Duijneveldt, T Cosgrove, S W Prescott, I Grillo, J Phipps and D I Gittins 3D structure of nematic and columnar phases of hard colloidal platelets A B G M Leferink op Reinink, J M Meijer, D Kleshchanok, D V Byelov, G J Vroege, A V Petukhov and H N W Lekkerkerker Phase behaviour of binary mixtures of diamagnetic colloidal platelets in an external magnetic field Jonathan Phillips and Matthias Schmidt Rheo-SAXS investigation of shear-thinning behaviour of very anisometric repulsive disc-like clay suspensions A M Philippe, C Baravian, M Imperor-Clerc, J De Silva, E Paineau, I Bihannic, P Davidson, F Meneau, P Levitz and L J Michot